化工物性查询软件excel版，纯物质热力学计算表

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纯物质热力学计算表			丙酸 Propionic Acid

使用说明：	在PUREDATA中查找物质序号，填入C6中, 并将相应的温度,压力填入F6,I6中, 按"F9"键重新计算即可

物质序号	142	查PureData	温度	100	C	压力	105	Kpa
				373.00	K
中文名	丙酸		英文名	Propionic Acid		分子式	C3H6O2
分子量	74.079		常压沸点	414.00	K
临界性质
临界温度	612.00	K	临界压力	5,369.00	Kpa	临界体积	0.23	m³/Kmol
临界压缩因子	0.2427		Rackett Zra	0.0000		分子体积	0.010455	m³/Kmol
偏心因子	0.0000	定义值	修正偏心因子	0.5392	SRK, PR方程用
热性质
常压沸点汽化热	3.2210E+04	KJ/kmol	生成焓	-4.5504E+05	KJ/kmol	Gibbs自由能	-3.6924E+05	KJ/kmol
理想气体热容		系数	A	B	C	D	E	F
等压热容	1.0549E+02	KJ/kmol.K	42.86816285	0.082230908	0.000453069	-7.61111E-07	4.73943E-10	-1.05836E-13

蒸汽压		Antoine	A	B	C
	2.3971E+01	Kpa	17.443	3761.1	-66.001	0.24	atmA

液相表面张力		Tension	A	B
	1.8828E-02	N/M	0.058908	1.213

液相密度		回归法系数	A	B	C	D
首选	1.2266E+01	Kmol/m^3	1.2563	0.2719	612	0.3064	908.6483	Kg/m^3
	7.8710E-02	m^3/Kmol	Cavet法估算		941.1668	Kg/m^3
	NO Zra	m^3/Kmol	Rickett法估算		#VALUE!	Kg/m^3
	7.7922E-02	m^3/Kmol	临界压缩因子法估算		950.6813	Kg/m^3

液相粘度		Vis	A	B
	4.43512E-04	Pa.S	535.04	299.320

液相热容			A	B	C	D	E
	1.7984E+02	KJ/kmol.K	146500	-249.3	0.908	0	0

汽化热			A	B	C	D
	3.2774E+04	KJ/kmol	10202000	-2.9146	2.491	0.4178

气体粘度		DipolM	StielF	PolarP	EpsDivK	MolDia
	Database	1.5	0	0	0.0	0
	Correlation				244.3	6.25
	烃类	8.6843E-03	mPa.S (CP)	INT Omega	0.76505	2.7259

No	Cname	EName	MolFml	MoleWt	Tc	Pc	Vc
1	氢气(氕)	Hydrogen	H2	2.02	33.27	12.79	65.00
211	氦(同位素4)	Helium-4	He	4.00	5.19	2.24	57.30
917	氢气(氘)	Deuterium	H2(De)	4.03	38.35	16.42	60.26
2	甲烷	Methane	CH4	16.04	190.63	45.40	99.42
63	氨气	Ammonia	NH3	17.03	405.65	111.31	72.47
62	水	Water	H2O	18.02	647.35	218.29	63.49
209	氟化氢	Hydrogen Fluorid	HF	20.01	461.00	64.00	69.00
918	重水	Deuterium Oxide	H2O(Weight)	20.03	643.89	216.54	56.30
106	氖气	Neon	Ne	20.18	44.50	26.90	41.83
64	乙炔	Acetylene	C2H2	26.04	308.30	60.59	112.96
112	氰化氢	Hydrogen Cyanide	HCN	27.03	456.67	53.20	138.59
623	乙硼烷	Di-Borane	B2H6	27.67	289.80	40.00	173.10
48	一氧化碳	Carbon Monoxide	CO	28.01	132.95	34.53	93.10
46	氮气	Nitrogen	N2	28.01	126.20	33.50	88.60
22	乙烯	Ethylene	C2H4	28.05	282.41	49.66	129.07
468	空气	Air	Air(Mixture)	28.95	132.45	37.25	92.49
107	一氧化氮	Nitric Oxide	NO	30.01	180.15	64.00	58.00
113	甲醛(福尔马林)	Formaldehyde	HCHO	30.03	408.00	65.00	105.00
3	乙烷	Ethane	C2H6	30.07	305.43	48.20	146.70
117	甲胺	Methyl-Amine	CH3NH2	31.06	430.05	73.60	154.00
47	氧气	Oxygen	O2	32.00	154.58	50.10	49.77
116	甲醇	Methanol	CH3OH	32.04	512.58	79.90	117.80
210	联胺(肼)	Hydrazine	H4N2	32.05	653.00	145.00	96.10
924	硅烷	Silane	H4Si	32.12	269.70	47.80	132.70
923	磷化氢	Phosphine	H3P	34.00	324.75	64.50	113.32
922	过氧化氢	Hydrogen Peroxid	H2O2	34.02	730.15	214.00	77.70
223	一氟甲烷	Methyl-Fluoride	CH3F	34.03	317.80	58.00	124.00
50	硫化氢	Hydrogen Sulfide	H2S	34.08	373.55	88.90	98.49
103	氯化氢	Hydrogen Chlorid	HCl	36.46	324.65	82.00	81.02
207	氟气	Fluorine	F2	38.00	144.30	51.50	66.20
97	氩	Argon	Ar	39.95	150.86	48.34	74.59
65	丙炔	Propyne	C3H3	40.06	402.38	55.54	169.80
57	丙炔	Propadiene	C3H4	40.07	393.85	51.80	162.00
124	乙腈	Acetonitrile	C2H3N	41.05	547.86	47.70	173.00
238	乙烯酮	Ketene	C2H2O	42.04	370.00	57.34	144.00
23	丙烯	Propylene	C3H6	42.08	364.76	45.52	181.00
256	环丙烷	Cyclopropane	C3H6	42.08	397.80	54.20	170.00
246	乙烯亚胺	Ethylene-Imine	C2H5N	43.07	537.00	67.60	177.00
49	二氧化碳	Carbon Dioxide	CO2	44.01	304.20	72.85	92.86
109	一氧化二氮(笑气)	Nitrous Oxide	N2O	44.01	309.57	71.50	97.37
127	乙醛	Acetaldehyde	C2H4O	44.05	461.00	54.80	157.00
128	环氧乙烷	Ethylene-Oxide	C2H4O	44.05	469.15	71.00	140.30
4	丙烷	Propane	C3H8	44.09	369.82	41.94	200.83
469	甲酰胺	Formamide	HCO-NH	45.04	771.00	76.98	163.00
247	二甲胺	Di-Methyl Amine	C2H7N	45.08	437.60	52.40	187.00
137	乙胺	Ethyl-Amine	C2H7N	45.09	456.17	55.50	182.00
108	二氧化氮	Nitrogen Dioxide	NO2	46.01	431.35	100.00	82.49
221	甲酸	Formic Acid	CH2O2	46.03	580.00	72.90	125.00
240	氟乙烯	Vinyl-Fluoride	C2H3F	46.04	327.80	51.70	144.00
132	乙醚	Di-Methyl Ether	C2H6O	46.07	400.05	53.00	170.00
133	乙醇	Ethanol	C2H6O	46.07	516.25	63.00	166.92
226	甲基联氨(肼)	Methyl-Hydrazine	CH6N	46.07	567.00	79.30	271.00
212	臭氧	Ozone	O3	48.00	261.00	55.00	88.90
245	氟乙烷	Ethyl-Fluoride	C2H5F	48.06	375.30	49.60	169.00
225	甲硫醇	Methyl-Mercaptan	CH4S	48.11	470.00	71.40	45.00
114	一氯甲烷	Methyl-Chloride	CH3Cl	50.49	416.28	65.92	139.00
634	二氟甲烷	Di-Fluoromethane	CH2F2	52.02	351.60	57.54	121.00
235	氰	Cyanogen	C2N2	52.04	400.00	59.00	200.00
147	乙烯基乙炔	Vinyl-Acetylene	C4H4	52.08	455.15	48.30	206.07
138	丙烯腈	Acrylonitrile	C3H3N	53.06	535.00	44.20	212.00
66	1-丁炔	1-Butyne	C4H6	54.09	463.65	46.50	237.20
28	1,3-丁二烯	1,3-Butadiene	C4H6	54.09	425.37	42.70	220.84
58	1,2-丁二烯	1,2-Butadiene	C4H6	54.09	444.00	44.40	219.00
150	二甲基乙酰	Di-Methyl Acetyl	C3H2O	54.09	488.72	50.18	215.75
255	丙腈	Propionitrile	C3H5N	55.08	564.40	41.30	230.00
250	丙烯醛	Acrolein	C3H4O	56.06	506.00	51.00	203.00
655	炔丙醇	Propargyl Alcohol	C3H4O	56.06	580.00	64.45	176.00
24	1-丁烯	1-Butene	C4H8	56.11	419.60	39.67	239.93
25	顺丁烯	Cs-2-Butene	C4H8	56.11	435.58	41.50	233.98
26	反丁烯	Ts-2-Butene	C4H8	56.11	428.63	39.30	238.18
27	异丁烯	I-Butene	C4H8	56.11	417.90	39.47	238.88
67	2-甲基丙烯	2-Mth-Propene	C4H8	56.11	417.90	39.47	238.88
686	环丁烷	Cyclobutane	C4H8	56.11	459.93	49.20	210.16
242	异氰酸甲酯	Methyl-Isocyanat	C2H3ON	57.05	491.00	55.00	193.00
666	炔丙胺	Allyl-Amine	C3H7N	57.10	505.00	51.02	247.00
645	1,2-二乙基二酮	1,2-Ethanedione	C3H6O	58.04	495.00	58.03	164.00
139	丙酮	Acetone	C3H6O	58.08	508.20	46.40	209.00
258	炔丙醇	Allyl-Alcohol	C3H6O	58.08	545.00	56.40	203.00
259	丙醛	Propionaldehyde	C3H6O	58.08	496.00	46.00	210.00
260	乙烯基甲基醚	Vinyl-MethylEthe	C3H6O	58.08	436.00	47.00	205.00
439	氧化丙烷，1,2-环氧丙烷	1,2-Propylene Ox	C3H6O	58.08	482.25	48.60	186.00
477	1,3-环氧丙烷，氧化乙烯	1,3-Propylene Ox	C3H6O	58.08	520.00	56.75	188.00
5	异丁烷	I-Butane	C4H10	58.12	408.13	36.00	263.00
6	正丁烷	N-Butane	C4H10	58.12	425.16	37.50	254.58
474	乙酰胺	Acetamide	C2H5ON	59.07	761.00	65.13	215.00
475	正甲基甲酰胺	N-Methyl-Formami	C2H5ON	59.07	721.00	55.46	215.00
146	三甲基胺	Tri-Mth Amine	C3H9N	59.11	433.28	40.20	254.00
268	正丙胺	N-Propyl-Amine	C3H9N	59.11	497.00	46.80	260.00
269	异丙胺	Isopropyl Amine	C3H9N	59.11	471.85	44.80	221.00
129	乙酸	Acetic Acid	C2H4O2	60.05	592.70	57.10	171.00
130	甲酸甲酯	Methyl-Formate	C2H4O2	60.05	487.17	59.20	172.00
433	尿素	Urea	CH4ON2	60.06	725.00	66.61	218.00
217	羰基硫	Carbonyl-Sulfide	COS	60.07	375.00	58.00	140.00
144	异丙醇	Isopropanol	C3H8O	60.10	508.33	47.02	220.10
145	丙醇	N-Propanol	C3H8O	60.10	536.70	51.02	218.53
479	甲乙醚	Methyl-Eth-Ether	C3H8O	60.10	437.80	43.40	221.00
249	乙烯二胺	Ethylene-DiAmine	C2H6N2	60.10	593.00	62.00	206.00
224	硝基甲烷	Nitro-Methane	CH3NO2	61.04	588.00	62.30	173.00
248	单乙醇胺	Monoethanolamine	C2H7ON	61.08	638.00	67.80	225.00
628	氯化氰	Cyanogen Chlorid	CNCl	61.47	449.00	59.12	163.00
134	甘醇，乙二醇	Ethylene-Glycol	C2H6O2	62.07	645.00	74.32	191.00
136	乙基硫醇	Ethyl-Mercaptan	C2H6S	62.13	499.17	54.20	204.76
135	二甲基硫	Di-Methyl Sulfid	C2H6S	62.14	503.04	54.60	200.91
121	氯乙烯	Vinyl-Chloride	C2H3Cl	62.50	432.00	55.96	179.00
237	1,2-二氟乙烯	1,1-2F-Ethylene	C2H2F2	64.04	302.80	44.00	154.00
51	二氧化硫	Sulfur Dioxide	SO2	64.06	430.75	77.81	122.00
131	氯乙烷	Ethyl-Chloride	C2H5Cl	64.51	460.39	52.00	194.65
206	氯化亚硝酰	NitrosylChloride	NOCl	65.46	440.00	90.00	139.00
629	碳酰氟(氟光气)	Carbonyl-Fluorid	COF2	66.01	297.00	56.85	141.00
243	1,1-二氟乙烷	1,1-2F-Ethane	C2H4F2	66.05	386.60	44.40	181.00
447	环戊二烯	Cyclopentadiene	C5H6	66.10	507.00	50.82	225.00
149	甲基丙烯腈	Methacrylonitril	C4H5N	67.09	554.56	38.33	270.63
272	烯丙基腈	Allyl-Cyanide	C4H5N	67.09	585.00	39.00	265.00
273	吡咯	Pyrrole	C4H5N	67.09	639.75	61.29	230.00
622	三氟化硼	Boron Trifluorid	BF3	67.81	260.90	49.20	123.61
271	呋喃	Furan	C4H4O	68.08	490.20	54.30	218.00
705	顺-1,3-戊二烯	Cs-1,3-Pentadien	C5H8	68.12	499.00	36.91	276.00
61	2-甲基丁二烯	Isoprene	C5H8	68.12	483.16	36.90	266.00
294	1,2-戊二烯	1,2-Pentadiene	C5H8	68.12	503.00	40.20	276.00
295	1,3-顺戊二烯	1-Ts-3-Pentadiene	C5H8	68.12	500.00	39.40	275.00
296	1,4-戊二烯	1,4-Pentadiene	C5H8	68.12	478.00	37.40	276.00
297	戊炔	1-Pentyne	C5H8	68.12	493.40	40.00	278.00
298	3-甲基-1,2-丁二烯	3-Mth-12Butadien	C5H8	68.12	496.00	40.60	267.00
68	环戊烯	Cyclopentene	C5H8	68.12	506.06	44.90	258.32
654	恶唑	Oxazole	C3H3ON	69.06	554.00	62.37	237.00
485	异丁腈	IsoButyroNitrile	C4H7N	69.11	565.00	37.11	278.00
276	丁腈	Butyronitrile	C4H7N	69.11	582.20	37.40	285.00
632	三氟甲烷	Tri-Fluoro Metha	CHF3	70.01	298.89	47.73	133.30
483	2-甲基丙烯醛，异丁烯醛	Methaacrolein	C4H6O	70.09	530.00	41.94	250.00
679	反-2-丁烯醛，反-巴豆醛	Ts-2-Butenal	C4H6O	70.09	571.00	41.94	250.00
680	二乙烯基醚	Di-Vinyl Ether	C4H6O	70.09	463.00	41.94	250.00
32	2-甲基-1-丁烯	2-Mth-1-Butene	C5H10	70.13	470.16	38.00	301.00
33	3-甲基-1-丁烯	3-Mth-1-Butene	C5H10	70.13	453.15	35.00	291.00
34	2-甲基-2-丁烯	2-Mth-2-Butene	C5H10	70.13	477.16	35.90	294.00
36	环戊烷	Cyclopentane	C5H10	70.13	511.76	44.49	260.00
29	1-戊烯	1-Pentene	C5H10	70.13	464.78	34.80	296.00
30	顺-2-戊烯	Cs-2-Pentene	C5H10	70.13	475.93	36.30	302.10
31	反-2-戊烯	Ts-2-Pentene	C5H10	70.13	471.15	34.70	302.10
104	氯气	Chlorine	Cl2	70.91	417.17	76.10	123.75
919	三氟化氮	Nitrogen Trifluo	NF3	71.00	233.85	44.71	118.75
659	丙烯酰胺	Acrylamide	C3H5NO	71.08	710.00	56.55	260.00
660	β-丙内酰胺	Hydracrylonitril	C3H5NO	71.08	690.00	48.26	243.00
285	吡咯烷(四氢吡咯)	Pyrrolidine	C4H9N	71.12	568.60	55.40	249.00
251	丙烯酸	Acrylic Acid	C3H4O2	72.06	615.00	56.00	208.00
252	甲酸乙烯酯	Vinyl-Formate	C3H4O2	72.06	498.00	49.54	210.00
656	β-丙醇酸内酯	B-Propiolactone	C3H4O2	72.06	686.00	68.20	195.00
151	异丁醛	Isobutyl Aldehyd	C4H8O	72.11	507.00	40.46	263.00
152	丁酮，甲基乙基酮	Methyl-Eth-Keton	C4H8O	72.11	535.50	41.00	267.00
278	乙烯基乙基醚	Vinyl-Ethyl-Ethe	C4H8O	72.11	475.00	40.20	260.00
279	叔糠醛胺	Tetr-Hydrofuran	C4H8O	72.11	540.20	51.20	224.00
443	丁醛	N-Butyraldehyde	C4H8O	72.11	525.00	39.48	263.00
688	1,2-环氧丁烷	1,2-Epoxybutane	C4H8O	72.11	526.00	43.33	258.00
7	异戊烷	I-Pentane	C5H12	72.15	460.39	33.37	304.85
8	正戊烷	N-Pentane	C5H12	72.15	469.66	33.25	312.44
9	新戊烷	Neo-Pentane	C5H12	72.15	433.76	31.57	303.00
143	二甲基甲酰胺	Di-Methyl Formam	C3H7ON	73.09	647.00	43.62	267.00
698	仲丁基胺	Sec-Butyl-Amine	C4H11N	73.14	514.30	39.48	310.00
699	叔丁基胺	Tert-Butylamine	C4H11N	73.14	483.90	37.90	293.00
290	正丁基胺	N-Butyl-Amine	C4H11N	73.14	524.00	41.00	288.00
291	异丁基胺	IsoButyl-Amine	C4H11N	73.14	513.73	41.60	312.00
292	二乙基胺	Di-Ethyl Amine	C4H11N	73.14	496.60	36.60	301.00
140	甲酯乙酯	Ethyl-Formate	C3H6O2	74.08	508.40	46.80	229.00
141	乙酸甲酯	Methyl-Acetate	C3H6O2	74.08	506.80	46.30	228.00
142	丙酸	Propionic Acid	C3H6O2	74.08	612.00	53.00	230.00
158	异丁醇	Isobutanol	C4H10O	74.12	547.72	42.39	272.00
159	正丁醇	N-Butanol	C4H10O	74.12	562.89	43.55	274.53
160	叔丁基乙醇	Tert-Butyl-Alco	C6H14O	74.12	506.20	39.20	275.00
161	乙醚	Di-Ethyl Ether	C4H10O	74.12	466.70	35.90	280.00
445	仲丁醇	Sec-Butanol	C4H10O	74.12	536.01	41.39	268.00
649	硝基乙烷	Nitro-Ethane	C2H5O2N	75.07	593.00	50.93	236.00
670	1-氨基-2-丙醇	1-Amino-2-Propan	C3H9ON	75.11	614.00	55.96	278.00
671	3-氨基-1-丙醇	3-Amino-1-C3OH	C3H9ON	75.11	649.00	54.28	278.00
436	乙二醇乙酸	Glycolic Acid	C2H4O3	76.05	519.00	72.14	196.00
473	过乙酸	PerAcetic Acid	C2H4O3	76.05	559.00	63.16	198.00
264	1,2-丙二醇	1,2-Prpylne-Gylc	C3H8O2	76.10	626.00	60.00	239.00
265	1,3-丙二醇	1,3-Prpylne Glyc	C3H8O2	76.10	658.00	59.00	217.00
669	甲氧基乙醇	2-Methoxyethanol	C3H8O2	76.10	564.00	49.45	242.00
263	二甲氧基甲烷	Methylal	C3H8O2	76.10	480.60	38.99	213.00
101	二硫化碳	Carbon Disulfide	CS2	76.14	552.00	78.00	160.00
267	甲基乙基硫醚	Methyl-Eth-Sulfi	C3H8S	76.16	533.00	42.00	260.00
657	2-氯丙烯	2-Chloropropene	C3H5Cl	76.53	478.00	46.48	234.00
253	氯丙烯	Allyl-Chloride	C3H5Cl	76.53	514.00	47.00	234.00
40	苯	Benzene	C6H6	78.11	562.16	48.34	258.94
476	二甲亚砜	Di-Methyl Sulfox	C2H6SO	78.14	726.00	55.76	227.00
122	氯化乙酰	Acetyl-Chloride	CH3COCL	78.50	508.00	56.66	196.00
261	一氯丙烷	Propyl-Chloride	C3H7Cl	78.54	503.00	45.20	254.00
262	2-氯丙烷	Isopropyl Chlori	C3H7Cl	78.54	489.00	46.60	230.00
293	吡啶	Pyridine	C5H5N	79.10	620.00	55.60	254.00
110	三氧化硫	Sulfur Trioxide	SO3	80.06	490.89	81.00	127.00
481	琥珀腈，丁二腈	Succinonitrile	C4H4N2	80.09	770.00	34.94	300.00
648	2-氯乙醇	2-Chloroethanol	C2H5OCl	80.51	585.00	58.43	212.00
208	溴化氢	Hydrogen Bromide	HBr	80.91	363.20	84.40	100.26
322	1,5-己二烯	1,5-Hexadiene	C6H10	82.15	507.00	34.00	328.00
323	环己烯	Cyclohexene	C6H10	82.15	560.40	42.90	292.00
489	戊腈，丁基腈	Valeronitrile	C5H9N	83.13	603.00	32.17	331.00
925	氪	Krypton	Ke	83.80	209.35	54.30	91.20
241	1,1,1-三氟乙烷	1,1,1-3F-Ethane	C2H3F3	84.04	346.20	37.10	221.00
299	环戊酮	Cyclopentanone	C5H8O	84.12	626.00	57.74	258.00
148	噻吩，硫茂	Thiophene	C4H5S	84.14	590.17	48.00	248.15
35	1-已烯	1-Hexene	C6H12	84.16	503.99	30.70	354.00
37	甲基环戊烷	Methyl-Cyclo-C5	C6H12	84.16	532.77	37.35	319.00
38	环已烷	Cyclohexane	C6H12	84.16	553.54	40.20	307.88
544	顺-2-己烯	Cs-2-Hexene	C6H12	84.16	513.00	31.28	359.00
545	反-2-己烯	Ts-2-Hexene	C6H12	84.16	513.00	31.19	360.00
548	2-甲基-2-戊烯	2-Mth-2-Pentene	C6H12	84.16	514.00	31.19	363.00
553	2,3-二甲基-1-丁炔	2,3-DiMth-1Butyn	C6H12	84.16	500.00	31.78	349.00
746	2-乙基-1-丁烯	2-Ethyl-1-Butene	C6H12	84.16	512.00	31.19	364.00
747	2-甲基-1-戊烯	2-Mth-1-Pentene	C6H12	84.16	507.00	31.19	359.00
748	4-甲基-1-戊烯	4-Mth-1-Pentene	C6H12	84.16	496.00	31.78	345.00
546	顺-3-己烯	Cs-3-Hexene	C6H12	84.16	517.00	32.37	350.00
547	反-3-己烯	Ts-3-Hexene	C6H12	84.16	519.90	32.07	350.00
549	顺-3-甲基-2-戊烯	Cs-3-Mth-2Penten	C6H12	84.16	518.00	32.37	351.00
550	反-3-甲基-2-戊烯	Ts-3-Mth-2Penten	C6H12	84.16	521.00	32.47	350.00
551	顺-4-甲基-2-戊烯	Cs-4-Mth-2Penten	C6H12	84.16	499.00	30.00	360.00
552	反-4-甲基-2-戊烯	Ts-4-Mth-2Penten	C6H12	84.16	501.00	31.78	346.00
554	2,3-二甲基-2-丁炔	2,3-DiMth-2Butyn	C6H12	84.16	524.00	33.16	351.00
555	3,3-二甲基-1-丁炔	3,3-DiMth-1Butyn	C6H12	84.16	490.00	32.07	340.00
220	二氯甲烷	Di-Cl Methane	CH2Cl2	84.93	510.00	60.00	185.00
486	2-吡咯烷酮	2-Pyrrolidone	C4H5NO	85.11	792.00	60.89	264.00
719	正甲基吡咯烷	N-Methylpyrrolid	C4H7NO	85.15	550.00	41.45	298.00
310	哌啶	Piperidine	C4H7NO	85.15	594.00	45.90	308.00
277	丙烯酸甲酯	Methyl-Acrylate	C4H6O2	86.09	536.00	42.00	270.00
425	乙烯基乙酸酯	Vinyl-Acetate	C4H6O2	86.09	524.00	41.94	270.00
441	异丁烯酸，甲基丙烯酸	Methyl-Acrylic A	C4H6O2	86.09	643.00	46.38	270.00
484	巴豆酸，丁烯酸	Ts-Crotonic Acid	C4H6O2	86.09	666.00	46.38	270.00
681	1,4-丁二醇	2-Butyn-1,4-Diol	C4H6O2	86.09	695.00	57.83	256.00
682	γ-丁内酰胺	Gamma-Butyrolact	C4H8ON	86.09	739.00	58.62	256.00
683	顺-巴豆酸，顺-丁烯酸	Cs-Crotonic Aci	C4H6O2	86.09	647.00	46.39	270.00
164	二乙基酮	Di-Ethyl Ketone	C5H10O	86.13	560.94	36.90	336.00
301	戊醛	Valeraldehyde	C5H10O	86.13	554.00	35.00	333.00
302	甲基正丙酮	Methyl-nC3-Keton	C5H10O	86.13	561.08	36.46	301.00
303	甲基异丙酮	Methyl-iC3-Keton	C5H10O	86.13	553.00	38.00	310.00
694	哌嗪	Piperazine	C4H10N2	86.14	638.00	54.58	310.00
10	正已烷	N-Hexane	C6H14	86.17	507.30	29.30	371.23
52	2-甲基戊烷	2-Mth-Pentane	C6H14	86.18	497.46	29.71	367.00
53	3-甲基戊烷	3-Mth-Pentane	C6H14	86.18	504.35	30.83	367.00
54	2,2-二甲基丁烷	2,2-DiMth-Butane	C6H14	86.18	488.73	30.40	359.00
55	2,3-二甲基丁烷	2,3-DiMth-Butane	C6H14	86.18	500.28	30.86	358.00
218	一氯二氟甲烷	Cl-2F-Methane	CHClF2	86.47	369.20	49.10	165.00
157	二甲基乙酰胺	Di-Methyl Acetam	C4H9NO	87.12	658.00	39.72	312.02
286	吗啉	Morpholine	C4H9NO	87.12	618.00	52.70	253.00
495	正戊胺	N-Pentylamine	C5H13N	87.16	555.00	35.33	365.00
216	四氟化碳	Carbon Tetra-F	CCl4	88.01	227.60	36.90	140.00
153	正丁酸	N-Butyric Acid	C4H8O2	88.11	628.00	43.62	283.00
154	乙酸乙酯，醋酸乙酯	Ethyl-Acetate	C4H8O2	88.11	523.28	37.80	286.00
155	丙酸甲酯	Methyl-Propionat	C4H8O2	88.11	530.61	39.52	282.00
156	甲酸丙酯	Propyl-Formate	C4H8O2	88.11	538.00	40.10	285.00
280	1,4-二恶烷	1,4-Dioxane	C4H8O2	88.11	587.00	51.40	238.00
281	异丁酸	IsoButyric Acid	C4H8O2	88.11	609.00	40.00	292.00
689	顺-丁烯二醇	Cs-Butenediol	C4H8O2	88.11	677.88	51.32	279.00
690	反-丁烯二醇	Ts-2-Butene-1	C4H8O2	88.11	681.00	51.32	279.00
311	1-戊醇	1-Pentanol	C5H12O	88.15	586.00	38.00	326.00
312	2-甲基-1-丁醇	2-Mth-1-Butanol	C5H12O	88.15	565.00	38.29	327.00
314	2-甲基-2-丁醇	2-Mth-2-Butanol	C5H12O	88.15	545.15	38.29	319.00
315	2,2-二甲基-1-丙炔醛	2,2-DiMth-1Prpnl	C5H12O	88.15	550.00	38.29	327.00
316	乙基丙基醚，乙氧基丙烷	Ethyl-Prop-Ether	C5H12O	88.15	500.23	33.26	339.00
451	甲基叔丁基醚	MTBE	C5H12O	88.15	497.10	33.85	329.00
491	3-甲基-1-丁醇	3-Mth-1-Butanol	C5H12O	88.15	574.00	39.08	327.00
492	2-戊醇	2-Pentanol	C5H12O	88.15	552.00	38.29	327.00
493	3-戊醇	3-Pentanol	C5H12O	88.15	547.00	38.29	327.00
313	3-甲基-1-丁醇	3-Mth-1-Butanol	C5H12O	88.15	579.45	38.29	329.00
691	硫代环戊烷	Thiacyclopentane	C4H8S	88.17	631.95	50.93	249.00
482	氯丁二烯	Chloroprene	C4H5Cl	88.54	525.00	42.04	273.00
667	1-硝基丙烷	1-Nitropropane	C3H7NO2	89.09	605.00	42.93	288.00
668	2-硝基丙烷	2-Nitropropane	C3H7NO2	89.09	594.00	43.92	288.00
478	三氧杂环己烷	Tri-Oxane	C3H6O3	90.08	604.00	57.44	206.00
661	2-羟基丙醇	2-Hydroxypropano		90.08	616.00	58.87	216.89
446	1,4-丁二醇	1,4-Butanediol	C4H10O2	90.12	667.00	48.16	297.00
487	1,3-丁二醇	1,3-Butanediol	C4H10O2	90.12	643.00	49.34	292.00
695	2-乙氧基乙醇	2-Ethoxyethanol	C4H10O2	90.12	569.00	41.85	294.00
287	二甲氧基乙烷	1,2-DimethoxyC2	C4H10O2	90.12	536.00	38.20	271.00
288	二乙基硫醚	Di-Ethyl Sulfide	C4H10S	90.18	557.00	39.10	318.00
696	丁二醇	Butanethiol	C4H10O2	90.19	569.00	39.18	307.00
697	特丁二醇	Tert-Butanethiol	C4H10O2	90.19	530.00	40.07	307.00
926	四氧化二氮	Nitrogen Tetr-Ox	O4N2	92.01	431.15	100.00	82.49
266	甘油，丙三醇	Glycerol	C3H8O3	92.09	723.00	39.50	264.00
41	甲苯	Toluene	C7H8	92.14	591.79	40.55	315.60
438	Alp-氯-1,2-环氧丙烷	Alp-EpiCl-Hydrin	C3H5OCl	92.53	610.00	48.36	233.00
282	1-氯丁烷	1-Cl-Butane	C4H9Cl	92.57	537.00	37.70	312.00
283	2-氯丁烷	2-Chlorobutane	C4H9Cl	92.57	520.60	39.00	305.00
284	叔丁基氯	Tert-But-Chlorid	C4H9Cl	92.57	507.00	39.00	295.00
174	苯胺	Aniline	C6H7N	93.13	699.00	52.40	270.00
614	2-甲基吡啶	2-Mth-Pyridine	C6H7N	93.13	621.00	43.23	320.00
615	3-甲基吡啶	3-Mth-Pyridine	C6H7N	93.13	645.00	43.23	320.00
321	4-甲基吡啶	4-Mth-Pyridine	C6H7N	93.13	646.15	46.00	325.00
173	酚	Phenol	C6H6O	94.11	694.25	60.50	229.00
650	二甲基二硫	Di-Methyl Disulf	C2H6S2	94.20	606.00	52.90	252.00
434	氯乙酸	Chloro Acetic Ac	C2H3O2F	94.50	686.00	57.04	221.00
222	溴甲烷	Methyl-Bromide	CH3Br	94.94	467.00	51.60	156.00
163	糠醛	Furfural	C5H4O2	96.09	657.11	54.40	252.00
320	氟（代）苯	Fluorobenzene	C6H5F	96.10	560.10	44.91	269.00
642	二氯乙烯	Vinyl-Idene DiCl	C2H2Cl2	96.94	482.00	51.22	224.00
643	二氯乙炔	Acetylene Dichlo	C2H2Cl2	96.94	527.00	51.22	224.00
644	反-1，2-二氯乙炔	Ts-1,2-Dichlo	C2H2Cl2	96.94	508.00	51.22	224.00
501	己腈	Hexane-Nitrile	C6H11N	97.16	622.05	28.82	384.00
270	马来酐，顺式丁烯二酐	Maleic Anhydride	C4H2O3	98.06	710.00	62.20	219.00
702	糠醇	Furfuryl Alcohol	C5H6O2	98.10	632.00	52.80	263.00
498	异亚丙基丙酮	Mesityl-Oxide	C6H10O	98.14	600.00	33.65	355.00
325	环己酮	Cyclohexanone	C6H10O	98.15	629.00	38.00	312.00
39	甲基环已烷	Methyl-Cyclo-C6	C7H14	98.18	572.65	34.26	367.88
92	1,1-二甲基环戍烷	1,1-DiMth-Cyc-C5	C7H14	98.18	547.16	34.00	344.70
93	1,2-二氯顺环戍烷	Cs-1,2-DiC1-CyC5	C7H14	98.18	565.10	34.02	363.40
94	1,2-二氯反环戍烷	Ts-1,2-DiC1-CyC5	C7H14	98.18	553.15	34.00	358.40
95	1,3-二氯顺环戍烷	Cs-1,3-DiC1-CyC5	C7H14	98.18	551.15	34.00	348.20
96	1,3-二氯反环戍烷	Ts-1,3-DiC1-CyC5	C7H14	98.18	553.15	34.01	360.00
56	1-庚烯	1-Heptene	C7H14	98.19	537.29	27.93	413.00
785	顺-2-庚烯	Cs-2-Heptene	C7H14	98.19	549.00	28.03	424.00
786	顺-3-庚烯	Cs-3-Heptene	C7H14	98.19	545.00	28.03	421.00
59	乙基环戊烷	Ethyl-Cyc-Pentan	C7H14	98.19	569.44	33.53	375.00
354	环庚烷，软木烷	Cycloheptane	C7H14	98.19	604.30	37.90	390.00
639	氯二氟乙烯	Cl-DiF-Ethylene	C2HF2Cl	98.48	400.55	44.00	197.00
100	光气	phosgene	COCl2	98.92	455.00	56.00	190.22
125	1,1-二氯乙烷	1,1-2Cl-Ethane	C2H4Cl2	98.96	523.17	50.00	235.23
126	1,2-二氯乙烷	1,2-Di-Cl-Ethane	C2H4Cl2	98.96	561.00	53.00	220.00
677	氰基乙酸甲酯	Methyl-Cyanoace	C4H5O2N	99.09	687.00	37.60	305.00
490	正β-甲基吡咯啉	N-Methyl-2-Pyrro	C5H9NO	99.13	724.00	47.17	316.00
711	1-丁基异氰	1-Butyl Isocyana	C5H9NO	99.13	568.00	33.95	360.00
505	六亚甲基亚胺	HexaMethylenImin	C6H13N	99.18	615.00	42.14	361.00
757	环己胺	Cyclohexylamine	C6H13N	99.18	615.00	41.45	360.00
233	全氟乙烯	Perfluoroethene	C2F4	100.02	306.40	38.90	175.00
675	琥珀酐，丁二(酸)酐	Succinic Anhydri	C4H4O3	100.07	811.00	66.42	223.00
300	丙烯酸乙酯	Ethyl-Acrylate	C5H8O2	100.12	553.00	36.30	323.00
448	甲基丙烯酸甲酯	Methyl-Methacryl	C5H8O2	100.12	564.00	36.32	323.00
449	丙酸乙烯酯	Vinyl-Propionate	C5H8O2	100.12	546.00	36.32	323.00
706	2,4-戊二酮	2,4-Pentanedione	C5H8O2	100.12	602.00	39.08	323.00
707	乙酸烯丙酯	Allyl-Acetate	C5H8O2	100.12	559.00	36.32	323.00
326	环己醇	Cyclohexanol	C6H12O	100.16	625.00	37.00	327.00
327	甲基异丁基酮	MibKetone	C6H12O	100.16	571.40	32.30	371.00
749	丁基乙烯基醚	Butyl-VinylEther	C6H12O	100.16	536.00	30.79	364.00
750	1-己醛	1-Hexanal	C6H12O	100.16	579.00	30.69	369.00
751	2-己酮	2-Hexanone	C6H12O	100.16	587.05	32.80	369.00
78	2-甲基已烷	2-Mth-Hexane	C7H16	100.20	530.31	26.98	421.00
79	3-甲基已烷	3-Mth-Hexane	C7H16	100.20	535.19	27.77	404.00
432	22,3-三氯丁烷	2,2,3-TriC1-C4	C4H7Cl3	100.20	531.17	29.15	398.00
524	2-甲基己烷	2-Mth-Hexane	C7H16	100.20	530.37	26.98	421.00
11	正庚烷	N-Heptane	C7H16	100.21	540.14	27.05	427.29
427	2,2-二甲基戊烷	2,2-DiMth-Pentan	C7H16	100.21	520.40	27.40	416.00
428	2,3-二甲基戊烷	2,3-DiMth-Pentan	C7H16	100.21	537.30	28.70	393.00
429	2,4-二甲基戊烷	2,4-DiMth-Pentan	C7H16	100.21	519.70	27.00	418.00
430	3,3-二甲基戊烷	3,3-DiMth-Pentan	C7H16	100.21	536.30	29.10	414.00
431	3-乙基环戊烷	3-Ethyl-Pentane	C7H16	100.21	540.60	28.50	416.00
239	1-氯-1,1-二氟乙烷	1-Cl-1,1-2FC2	C2H3ClF2	100.50	410.20	40.70	231.00
906	二氯硅烷	Di-Chloro Silane	H2SiCl2	101.01	449.00	43.72	228.00
336	二丙基胺	Di-Propyl Amine	C6H15N	101.19	555.80	35.83	418.00
337	三乙基胺	Tri-Ethyl Amine	C6H15N	101.19	535.00	30.00	390.00
766	二异丙基胺	Di-Isoprop-Amine	C6H15N	101.19	523.10	31.58	418.00
767	己胺	Hexylamine	C6H15N	101.19	583.00	31.38	418.00
442	乙（酸）酐	Acetic Anhydride	C4H6O3	102.09	569.15	46.20	290.00
165	乙酸丙酯	N-Propyl-Acetate	C5H10O2	102.13	549.39	33.20	345.00
304	正戊酸	N-Valeric Acid	C5H10O2	102.13	651.00	38.00	340.00
305	异甲酸丁酯	IsoButyl-Formate	C5H10O2	102.13	551.00	38.30	350.00
306	正乙酸丙酯	N-Propyl-Acetate	C5H10O2	102.13	549.40	32.90	345.00
307	丙酸乙酯	Ethyl-Propionate	C5H10O2	102.13	546.00	33.20	345.00
308	丁酸甲酯	Methyl-Butyrate	C5H10O2	102.13	554.40	34.30	340.00
309	异丁酸甲酯	Methyl-IsoButyra	C5H10O2	102.13	540.80	33.90	339.00
450	甲酸正丁酯	N-Butyl-Formate	C5H10O2	102.13	559.00	34.64	336.00
613	异戊酸	Isovaleric Acid	C5H10O2	102.13	634.00	38.39	336.00
714	乙酸异丙酯	Isopropyl Acetat	C5H10O2	102.13	538.00	35.33	336.00
715	四氢糠醛	Tetr-Hyd-Furfura	C5H10O2	102.13	639.00	45.99	290.00
334	乙基丁基醚	Ethyl-Butyl-Ethe	C6H14O	102.18	531.00	29.51	382.00
618	甲基戊基醚，甲氧基烷	Methyl-Amyl-Ethe	C6H14O	102.18	546.50	30.00	392.00
333	1-己醇	1-Hexanol	C6H14O	102.18	611.35	34.64	381.00
335	二异丙基醚	Di-Isopropyl-Eth	C6H14O	102.18	500.05	28.40	386.00
455	二异丙基乙烷	Di-Isopropyl-Eth	C6H14O	102.18	500.05	28.40	386.00
506	2-甲基-1-戊醇	2-Mth-1-Pentanol	C6H14O	102.18	582.00	33.55	380.00
507	4-甲基-2-戊醇	4-Mth-2-Pentanol	C6H14O	102.18	574.40	34.24	380.00
758	二丙基醚	Di-Propyl Ether	C6H14O	102.18	530.60	29.88	382.00
759	2-乙基-1-丁醇	2-Ethyl-1-Butano	C6H14O	102.18	580.00	33.56	380.00
927	甲基异戊基醚	TAME	C6H14O	102.18	534.00	30.00	382.00
631	二氯氟甲烷	Di-Cl-F Methane	CHFCl2	102.92	451.58	51.16	196.00
339	苄腈，苄基腈	Benzonitrile	C7H5N	103.12	699.40	41.60	339.00
701	二亚乙基三胺	Di-Etylne Triami	C4H13N3	103.17	676.00	41.65	342.00
920	四氟化硅	Silicon Tetraflu	SiF4	104.08	259.00	36.70	165.00
177	苯乙烯	Styrene	C8H8	104.15	647.16	39.50	369.00
494	1,5-戊二醇	1,5-Pentanediol	C5H12O2	104.15	673.00	40.96	345.00
700	氨基乙基醚	1-Amino-Eth Ethe	C4H12N2O	104.15	698.00	44.02	387.00
720	新戊基乙二醇	Neo-Pentyl Glyco	C5H12O2	104.15	643.00	41.85	345.00
723	1-戊硫醇	1-Pentanethiol	C5H12S	104.22	598.00	34.25	359.00
213	一氯三氟甲烷	Cl-3F-Methane	CClF3	104.46	302.00	38.70	180.00
426	二乙醇胺	Di-Ethanol-Amine	C4H11O2N	105.14	715.00	32.27	349.00
162	二乙基乙二醇	Di-Ethylene Glyc	C6H14O	106.12	680.00	45.40	312.00
340	苯甲醛	Benzaldehyde	C7H6O	106.12	695.00	46.00	335.00
42	间二甲苯	O-Xylene	C8H10	106.17	630.37	36.85	369.17
43	邻二甲苯	M-Xylene	C8H10	106.17	617.05	34.95	375.80
44	对二甲苯	P-Xylene	C8H10	106.17	616.26	34.65	379.11
45	乙苯	Ethyl-Benzene	C8H10	106.17	617.17	35.62	373.81
718	1-氯戊烷	1-Chloropentane	C5H11Cl	106.60	568.00	33.06	352.00
646	乙烯基溴，溴代乙烯	Vinyl-Bromide	C2H3Br	106.95	473.00	70.86	200.00
780	苄胺	Benzyl-Amine	C7H9N	107.15	683.50	42.64	373.00
781	2,6-二甲基吡啶	2,6-DiMth-Pyridi	C7H9N	107.15	623.75	37.31	316.00
346	2,3-二甲基吡啶	2,3-DiMth-Pyridi	C7H9N	107.16	655.40	37.34	365.00
347	2,5-二甲基吡啶	2,5-DiMth-Pyridi	C7H9N	107.16	644.20	37.34	365.00
348	3,4-二甲基吡啶	3,4-DiMth-Pyridi	C7H9N	107.16	683.80	37.34	365.00
349	3,5-二甲基吡啶	3,5-DiMth-Pyridi	C7H9N	107.16	667.20	37.34	365.00
350	甲基苯甲胺	Methyl-Phnl-Amin	C7H9N	107.16	701.55	51.30	373.00
351	间-甲苯胺	O-Toluidine	C7H9N	107.16	694.00	37.00	343.00
352	邻-甲苯胺	M-Toluidine	C7H9N	107.16	709.00	41.00	373.00
353	对-甲苯胺	P-Toluidine	C7H9N	107.16	693.15	39.48	373.00
176	间甲酚	O-Cresol	C7H8O	108.14	697.55	49.40	282.00
342	甲基苯基醚，茴香醚	Methyl-Phnl-Ethe	C7H8O	108.14	641.00	41.20	336.00
343	苄醇，苯甲醇	Benzyl-Alcohol	C7H8O	108.14	677.00	44.90	334.00
344	邻甲酚	M-Cresol	C7H8O	108.14	705.80	45.00	310.00
345	对甲酚	P-Cresol	C7H8O	108.14	704.60	50.80	318.00
497	己二腈	Adiponitrile	C6H8N2	108.14	781.00	27.93	406.00
736	邻-苯二胺	M-Phenylenediami	C6H8N2	108.14	824.00	51.12	377.00
737	间-苯二胺	O-Phenylenediami	C6H8N2	108.14	781.00	51.12	315.00
738	对-苯二胺	P-Phenylenediami	C6H8N2	108.14	796.00	51.12	317.00
739	苯肼	Phenyl Hydrazine	C6H8N2	108.14	761.00	48.46	418.00
807	乙烯基环己烯	Vinyl-Cyc-Hexene	C8H12	108.18	599.00	33.85	379.00
658	氯乙酸甲酯	Methyl-Chloroace	C3H5O2Cl	108.52	613.00	70.17	270.00
244	溴乙烷	Ethyl-Bromide	C2H5Br	108.97	503.80	61.50	215.00
733	对-苯二酚	P-Hydroquinone	C6H6O2	110.11	822.00	73.53	300.00
735	苯硫酚	Phenylthiol	C6H6S	110.18	689.00	46.78	315.00
82	1-辛烯	1-Octene	C8H16	112.21	566.60	25.90	472.00
83	1,3-二氯顺环己烷	Tr-1,3-DiC1-CyC6	C8H16	112.21	598.16	29.00	446.20
84	1,4-二氯顺环己烷	Cs-1,4-DiC1-CyC6	C8H16	112.21	598.15	29.00	448.10
85	1,4 -二氯反环己烷	Ts-1,4-DiC1-CyC6	C8H16	112.21	590.20	29.00	450.90
86	1,1-二甲基环己烷	1,1-DiMth-Cyc-C6	C8H16	112.21	591.15	29.00	446.90
87	1,2-二氯顺环己烷	Cs-1,2-DiC1-CyC6	C8H16	112.21	606.15	29.00	433.30
88	1,3-二氯顺环己烷	Cs-1,3-DiC1-CyC6	C8H16	112.21	591.15	29.00	462.30
569	反-1,2-二甲基环戊烷	Ts-1,2-DiMeth	C8H16	112.21	596.15	29.00	460.00
577	反-2-辛烯	Ts-2-Octene	C8H16	112.21	577.00	25.46	484.00
808	2-乙基-1-己烯	2-Ethyl-1-Hexene	C8H16	112.21	574.00	30.30	399.00
809	反-3-辛烯	Ts-3-Octene	C8H16	112.21	574.00	25.46	480.00
810	反-4-辛烯	Ts-4-Octene	C8H16	112.21	573.00	25.46	480.00
811	1-二异丁烯	1-Diisobutylene	C8H16	112.21	553.00	25.96	465.00
812	2-二异丁烯	2-Diisobutylene	C8H16	112.21	558.00	25.96	470.00
60	乙基环已烷	Ethyl-Cyc-Hexane	C8H16	112.22	609.15	30.00	419.00
570	1,1,2-三甲基环戊烷	1,1,2-TrMthCycC5	C8H16	112.22	579.50	29.01	0.00
572	1,2,4-三甲基环戊烷	1,2,4-TrMthCycC5	C8H16	112.22	579.00	28.62	0.00
573	1,2,4三甲基环戊烷	1,2,4-TrMthCycC5	C8H16	112.22	571.00	27.63	0.00
574	1-甲基-1-乙基-环戊烷	1-Mth-1-EthCycC5	C8H16	112.22	592.00	29.61	0.00
576	环辛烷	Cyclooctane	C8H16	112.22	647.20	35.13	410.00
178	正丙基环戍烷	N-Propyl-Cy-C5	C8H16	112.22	603.15	29.60	442.99
571	1,1,3-三甲基环戊烷	1,1,3-TrMthCycC5	C8H16	112.22	569.50	27.93	0.00
575	异丙基环戊烷	IsoPropyl-Cyclop	C8H16	112.22	601.00	29.61	0.00
171	氯苯	Chloro Benzene	C6H5Cl	112.56	632.39	44.60	308.00
120	氯乙酰氯	Cl-Acetyl-Chlori	C2H2OCl2	112.94	581.00	50.43	245.00
257	1,2-二氯丙烷	1,2-2Cl-Propane	C3H6Cl2	112.99	572.00	41.84	226.00
704	氰基乙酸乙酯	Ethyl-Cyanaceta	C5H7O2N	113.12	679.00	32.96	358.00
454	ε-己内酰胺	Epsilon-Caprolac	C6H11ON	113.16	806.00	47.07	402.00
236	三氟乙酸	3F-Acetic Acid	C2HO2F3	114.02	491.30	32.20	215.00
703	戊二(酸)酐	Glutaric Anhydri	C5H6O3	114.10	838.00	57.24	275.00
499	异丁烯酸乙酯	Ethyl-Methylacry	C6H10O2	114.14	577.00	32.07	375.00
741	己内酯，羟基己酸内酯	Caprolactone	C6H10O2	114.14	732.00	45.70	331.00
742	丙烯酸1-丙酯	1-Propyl-Acrylat	C6H10O2	114.14	569.00	32.08	376.00
765	三乙基铝	Tri-Ethyl Alumin	C6H15Al	114.17	720.15	134.00	230.00
787	1-庚醛	1-Heptanal	C7H14O	114.19	603.00	27.63	421.00
788	2-庚酮	2-Heptanone	C7H14O	114.19	611.55	28.82	421.00
789	1-甲基环己烷	1-Mth-Cyc-Hexane	C7H14O	114.19	603.00	37.40	414.00
790	顺-2-甲基环己醇	Cs-2-Mth-CycC6OH	C7H14O	114.19	614.00	37.40	414.00
791	反-2-甲基环己醇	Ts-2-Methylcy	C7H14O	114.19	616.00	37.40	414.00
792	顺-4-甲基环己醇	Cs-3-Mth-CycC6OH	C7H14O	114.19	618.00	37.40	414.00
793	反-4-甲基环己醇	Ts-3-Methylcy	C7H14O	114.19	617.00	37.40	413.99
794	正-4-甲基环己醇	Cs-4-Mth-CycC6OH	C7H14O	114.19	622.00	37.40	414.00
795	反-4-甲基环己醇	Ts-4-Methylcy	C7H14O	114.19	622.00	37.40	414.00
796	5-甲基-2-己酮	5-Mth-2-Hexanone	C7H14O	114.19	601.00	29.31	421.00
12	正辛烷	N-Octane	C8H18	114.22	568.69	24.54	492.00
80	2-甲基庚烷	2-Mth-Heptane	C8H18	114.22	559.55	24.52	488.00
81	2,2,4-三甲基戊烷	2,2,4-TriMth-C5	C8H18	114.22	543.89	25.34	425.60
534	2,2,3-三甲基戊烷	2,2,3-TriMth-C5	C8H18	114.23	563.50	26.94	436.00
582	3-甲基-庚烷	3-Mth-Heptane	C8H18	114.23	563.67	25.13	464.00
583	4-甲基-庚烷	4-Mth-Heptane	C8H18	114.23	561.74	25.09	476.00
584	2,2-二甲基己烷	2,2-DiMth-Hexane	C8H18	114.23	549.80	24.97	478.00
585	2,3-二甲基己烷	2,3-DiMth-Hexane	C8H18	114.23	563.40	25.96	468.20
586	2,4-二甲基己烷	2,4-DiMth-Hexane	C8H18	114.23	553.50	25.26	472.00
587	2,5-二甲基己烷	2,5-DiMth-Hexane	C8H18	114.23	550.00	24.57	482.00
588	3,3-二甲基己烷	3,3-DiMth-Hexane	C8H18	114.23	562.00	26.15	443.00
589	3,4-二甲基己烷	3,4-DiMth-Hexane	C8H18	114.23	568.80	26.55	466.20
590	3-乙基己烷	3-Ethyl-Hexane	C8H18	114.23	565.40	25.76	455.10
591	2,3,3-三甲基己烷	2,3,3-TriMth-C5	C8H18	114.23	573.50	27.83	455.10
592	2,3,4-三甲基己烷	2,3,4-TriMth-C5	C8H18	114.23	566.30	26.94	460.60
593	2-甲基-3-乙基己烷	2-Mth-3-Eth-C5	C8H18	114.23	567.00	26.65	442.80
594	3-甲基-3-乙基己烷	3-Mth-3-Eth-C5	C8H18	114.23	576.60	27.73	455.00
595	2,2,3,3-四甲基丁烷	2,2,3,3-TetMthC4	C8H18	114.23	567.80	28.32	461.00
802	1-氨基庚烷	1-Amino-Heptane	C7H17N	115.22	607.00	28.13	471.00
440	马来酸，顺式丁烯二酸	Maleic Acid	C4H4O4	116.07	563.00	49.25	297.00
676	富马酸，反(式)丁烯二酸	Fumaric Acid	C4H4O4	116.07	771.00	49.15	297.00
708	4-氧代戊酸	4-Oxopentanoic A	C5H8O3	116.12	723.00	39.67	343.00
709	乙酰乙酸甲酯	Methyl-Acetoacet	C5H8O3	116.12	642.00	36.62	343.00
180	茚	Indene	C9H8	116.16	691.94	37.67	376.75
328	乙酸正丁酯	N-Butyl-Acetate	C6H12O2	116.16	579.00	31.00	400.00
329	乙酸异丁酯	IsoButyl-Acetate	C6H12O2	116.16	561.00	30.00	414.00
330	丁酸乙酯	Ethyl-Butyrate	C6H12O2	116.16	571.00	30.20	421.00
331	异丁酸乙酯	Ethyl-Isobutyrat	C6H12O2	116.16	553.00	30.00	410.00
332	丙酸丙脂	N-Propyl-Propion	C6H12O2	116.16	578.00	30.70	395.00
502	双丙酮醇	Di-Acetone Alco	C6H12O2	116.16	606.00	35.53	387.00
503	正己酸	N-Hexanoic Acid	C6H12O2	116.16	667.00	33.06	389.00
752	乙酸仲丁酯	Sec-Butyl Acetat	C6H12O2	116.16	561.00	31.29	389.00
753	环己烯化过氧氢	Cyc-Hex-Hydroper	C6H12O2	116.16	685.00	41.55	342.00
754	乙酸2-乙基丁酯	2-Ethyl-Butyr Ac	C6H12O2	116.16	655.00	33.65	389.00
355	1-庚醇	1-Heptanol	C7H16O	116.20	631.90	31.09	435.00
801	2-庚醇	2-Heptanol	C7H16O	116.20	588.00	29.90	432.00
458	己基甲基二胺	Hexa-Mth-Di-Amin	116.21	663.00	32.47	475.00
803	吲哚	Indole	C8H7N	117.15	790.00	42.44	431.00
621	三氯化硼	Boron Trichlorid	BCl3	117.17	451.95	38.20	148.34
274	草酰乙酸二甲酯	Di-Methyl Oxalat	C4H6O4	118.09	628.00	39.30	266.00
275	琥珀酸，丁二酸	Succinic Acid	C4H6O4	118.09	693.00	46.48	310.00
717	乳酸乙酯	Ethyl-Lactate	C5H10O3	118.13	588.00	38.10	354.00
181	阴丹酮，靛蒽醌	Indan		118.18	681.06	35.83	391.42
182	甲基苯乙烯	Methyl-Styrene	C9H10	118.18	662.56	34.02	407.40
508	1,6-己二醇	1,6-Hexaediol	C6H14O2	118.18	670.00	35.63	398.00
509	己二醇	Hexylene-Glycol	C6H14O2	118.18	621.00	39.57	398.00
760	1,1-二乙氧基乙胺	1,1-Diethoxyetha		118.18	541.00	29.41	402.00
761	2-丁氧基乙醇	2-Butoxyethanol	C6H14O2	118.18	600.00	31.98	400.00
822	α-甲基苯乙烯	Alpha-Methylstyr	C9H10	118.18	654.00	33.16	423.00
907	亚硫酰（二）氯	Thionyl Chloride		118.97	567.00	0.00	203.00
770	异氰酸苯酯	Phenyl Isocyanat	C7H5NO	119.12	648.00	40.07	341.00
724	甲基二乙基胺	Methyl-DiEth-Ami		119.16	678.00	38.29	401.00
111	三氯甲烷，氯仿	Chloroform	CHCl3	119.38	536.40	54.00	239.00
357	苯甲酮	Methyl-Phnl-Keto	C8H8O	120.15	701.00	37.90	376.00
526	乙酰苯，苯乙酮	Acetophenone	C8H8O	120.15	701.00	37.90	376.00
527	对-甲苯甲醛	P-Tolualdehyde	C8H8O	120.15	698.00	36.22	416.00
721	甲基卡必醇	Methyl-Carbitol	C8H8O	120.15	630.00	34.94	367.00
444	四氢噻吩砜，环丁砜	Sulfolane	C4H8O2S	120.17	849.00	49.64	300.00
69	丙基苯	N-Propyl-Benzene	C9H12	120.19	638.38	31.58	440.00
70	异丙苯	I-Propyl-Benzene	C9H12	120.19	631.15	31.67	427.70
71	1-乙基-2-甲基苯	1-Ethyl-2-Mth-Bz	C9H12	120.19	651.15	32.00	460.00
72	1-甲基-3-乙基苯	1-Mth-3-Eth-Benz	C9H12	120.19	637.15	31.05	490.00
73	1-甲基-4-乙基苯	1-Mth-4-C2-Benze	C9H12	120.19	640.15	30.50	470.00
74	1,2,3-三甲基苯	1,2,3-Mesitylene	C9H12	120.19	664.50	34.09	415.00
75	1,2,3-三甲基苯	1,2,4-Mesitylene	C9H12	120.19	649.10	31.89	437.30
76	1,3,5-三甲基苯	1,3,5-Mesitylene	C9H12	120.19	637.30	30.86	423.00
214	二氯二氟甲烷	2Cl-2F-Methane	CCl2F2	120.91	385.00	40.70	217.00
774	N-甲酰基苯胺	N-Phenylformamid	C7H7NO	121.14	787.00	40.56	382.00
566	N,N-二甲基苯胺	N,N-DiMth-Anilin	C8H11N	121.18	687.00	35.80	465.00
567	N-乙基苯胺	N-Ethyl-Aniline	C8H11N	121.18	698.00	0.00	0.00
341	苯甲酸，安息香酸	Benzoic Acid	C7H6O2	122.12	752.00	45.00	341.00
771	水杨醛，邻羟基苯醛	Salicylaldehyde	C7H6O2	122.12	680.00	49.25	342.00
556	间-乙基苯酚	O-Ethyl-Phenol	C8H10O	122.17	703.00	42.30	387.00
557	邻-乙基苯酚	Meta-Ethy-Phenol	C8H10O	122.17	718.80	0.00	0.00
559	乙基苯基醚	Ethyl-Phenyl-Eth	C8H10O	122.17	647.00	33.75	0.00
460	甲苯二胺	Toluene-Di-Amine	C7H10N2	122.17	804.00	43.23	430.00
558	对-乙基苯酚	P-Ethyl-Phenol	C8H10O	122.17	716.40	42.30	387.00
560	2,3-二甲苯酚	2,3-Xylenol	C8H10O	122.17	722.95	48.36	360.00
561	2,4-二甲苯酚	2,4-Xylenol	C8H10O	122.17	707.60	43.42	390.00
562	2,5-二甲苯酚	2,5-Xylenol	C8H10O	122.17	707.05	48.36	350.00
563	2,6-二甲苯酚	2,6-Xylenol	C8H10O	122.17	701.00	42.44	390.00
564	3,4-二甲苯酚	3,4-Xylenol	C8H10O	122.17	729.95	49.35	350.00
565	3,5-二甲苯酚	3,5-Xylenol	C8H10O	122.17	715.60	36.00	480.00
805	苯乙醚，乙氧基苯	Phenetole	C8H10O	122.17	647.15	33.80	390.00
806	2-苯基乙醇	2-Phenyl Ethanol	C8H10O	122.17	684.00	38.69	387.00
289	二乙基二硫醚	Di-Ethyl Di-Sulf	C4H10S2	122.24	642.00	38.24	370.00
662	1-溴丙烷	1-Bromopropane	C2H5Br	122.99	544.00	53.20	266.00
663	2-溴丙烷	2-Bromo-Propane	C2H5Br	122.99	532.00	54.38	266.00
452	硝基苯	Nitro-Benzene	C6H5NO2	123.11	719.00	42.83	349.00
779	对-甲氧基苯酚	P-Methoxyphenol		124.14	758.00	49.05	342.00
678	1,4-二氯-反-丁烯醛	1,4-DiCl-ts2Bute		125.00	646.00	37.31	330.00
782	异氰酸环己酯	Cyc-Hex-Isocyana		125.17	633.00	34.25	408.00
734	1,2,3-苯三甲酸	1,2,3-Benzenetri		126.11	830.00	86.95	318.00
183	正丙基环已烷	N-Propyl-Cy-C6	C9H18	126.24	639.15	27.70	501.48
365	1-壬烯	1-Nonene	C9H18	126.24	593.25	23.00	528.00
364	异丙基环己烷	IsoPropyl-Cyc-C6	C9H18	126.24	640.00	28.00	469.50
601	1,3,5-三甲基环己烷	1,3,5-TrMthCycC6	C9H18	126.24	602.20	28.00	0.00
519	间-氯甲苯	O-Cl-Toluene	C7H7Cl	126.58	656.00	38.59	354.00
520	对-氯甲苯	P-Cl-Toluene	C7H7Cl	126.58	660.00	38.59	360.00
773	苄基氯	Benzyl-Chloride	C7H7Cl	126.58	686.00	38.59	360.00
687	1,4-二氯丁烷	1,4-DiCl-Butane	C4H8Cl2	127.01	641.00	35.63	343.00
728	邻-氯苯胺	M-Chloroaniline	C6H6NCl	127.57	751.00	45.30	364.00
729	间-氯苯胺	O-Chloroaniline	C6H6NCl	127.57	722.00	45.30	364.00
105	碘化氢	Hydrogen Iodide	HI	127.91	423.85	82.01	121.94
184	萘	Naphthalene	C10H8	128.17	748.33	39.98	413.00
461	丙烯酸正丁酯	N-Butyl-Acrylate	C7H12O2	128.17	598.00	25.96	428.00
521	异丁烯酸正丙酯	N-Propyl-Methacr	C7H12O2	128.17	599.00	28.72	428.00
783	丙烯酸异丁酯	Isobutyl Acrylat	C7H12O2	128.17	580.00	29.11	428.00
813	2-乙基己醇	2-Ethyl-Hexanal	C8H16O	128.21	607.00	25.46	474.00
13	正壬烷	N-Nonane	C9H20	128.25	594.56	22.58	548.00
604	2,2-二甲基庚烷	2,2-DiMth-Heptan	C9H20	128.26	576.80	23.19	0.00
366	2,2,3-三氯己烷	2,2,3-3C1-Hexane	C6H11Cl3	128.26	588.00	24.60	517.00
367	2,2,4-三甲基己烷	2,2,4-3Mth-Hexan	C9H20	128.26	573.70	23.50	517.00
373	2,2,3,4-四甲基戊烷	2,3,3,4-4Mth-C5	C9H20	128.26	607.60	26.80	481.00
368	2,2,5-三甲基己烷	2,2,5-3Mth-Hexan	C9H20	128.26	568.00	23.00	519.00
369	3,3-二乙基戊烷	3,3-2Eth-Pentane	C9H20	128.26	610.00	26.40	473.00
370	2,2,3,3-四氯戊烷	2,2,3,3-4C1-C5	C5H8Cl4	128.26	610.85	27.00	478.00
371	2,2,3,4-四氯戊烷	2,2,3,4-4C1-C5	C5H8Cl4	128.26	592.70	25.30	490.00
372	2,2,4,4-四甲基戊烷	2,2,4,4-4Mth-C5	C9H20	128.26	571.35	23.30	504.00
603	2-甲基辛烷	2-Mth-Octane	C9H20	128.26	586.75	22.60	541.00
829	3-甲基辛烷	3-Mth-Octane	C9H20	128.26	590.15	23.10	529.00
830	4-甲基辛烷	4-Mth-Octane	C9H20	128.26	587.65	23.10	523.00
820	异喹啉	Isoquinoline	C9H7N	129.16	803.15	49.15	403.00
821	喹啉	Quinoline	C9H7N	129.16	782.15	45.99	469.00
362	二丁基胺	Di-Butyl Amine	C8H17N	129.25	607.50	30.69	524.00
599	二丁基胺	Di-Butyl Amine	C8H17N	129.25	607.50	26.05	0.00
600	二异丁基胺	Di-Isobutyl-Amin	C8H17N	129.25	584.40	26.84	0.00
818	1-辛基胺	1-Octylamine	C8H17N	129.25	627.00	25.46	524.00
633	溴氯甲烷	Bromo-Chlorometh	CH2BrCl	129.38	557.00	67.21	188.00
500	丙酸酐	Propionic Anhydr	C6H10O3	130.14	618.00	32.96	396.00
743	乙酰乙酸乙酯	Ethylacetoacetat	C6H10O3	130.14	643.00	32.27	391.00
185	1-甲基茚	1-Mth-Indene	C10H10	130.19	703.44	34.15	440.00
186	2-甲基茚	2-Mth-Indene	C10H10	130.19	684.00	34.15	430.00
522	丙酸正丁酯	N-Butyl-Propiona	C7H14O2	130.19	594.00	27.63	442.00
523	正丁酸正丙酯	N-Propyl-NButyra	C7H14O2	130.19	594.00	27.63	442.00
797	异戊酸乙醇	Ethyl-Isovalerat	C7H14O2	130.19	587.95	28.03	442.00
798	庚酸	Heptanoic Acid	C7H14O2	130.19	680.00	29.51	442.00
799	乙酸异戊酯	Isopentyl Acetat	C7H14O2	130.19	599.00	28.03	442.00
800	乙酸戊酯	Pentyl Acetate	C7H14O2	130.19	598.00	27.63	442.00
837	邻-二乙烯基苯	M-Divinyl Benzen	C10H10	130.19	692.00	30.79	440.00
358	1-辛醇	1-Octanol	C8H18O	130.23	652.50	28.23	490.00
359	2-辛醇	2-Octanol	C8H18O	130.23	637.15	26.94	494.00
360	2-己醇	2-Ethyl-Hexanol	C6H14O	130.23	640.25	26.94	485.00
361	丁醚	Butyl-Ether	C8H18O	130.23	580.00	25.00	500.00
815	二正丁醚	Di-n-Butyl Ether	C8H18O	130.23	581.00	24.28	487.00
596	4-甲基-3-庚醇	4-Mth-3-Heptanol	C8H18O	130.23	623.50	28.50	0.00
597	5-甲基-3-庚醇	5-Mth-3-Heptanol	C8H18O	130.23	621.20	28.50	0.00
598	二叔丁基醚	Di-Ter-Buty-Ethe	C8H18O	130.23	550.00	23.88	0.00
118	三氯乙烯	Tri-Cl-Ethylene	C2HCl3	131.39	571.00	48.46	256.00
710	戊二酸	Glutaric Acid	C5H8O4	132.12	774.00	39.87	363.00
504	仲(乙)醛，三聚乙醛	Paraldehyde	C6H12O3	132.16	579.00	34.54	365.00
755	乙酸乙氧基酯	Ethoxy Acetate	C6H12O3	132.16	597.00	24.30	409.00
374	1,2,3,4-四氢化萘	Tetralin	C10H12	132.21	720.15	35.73	441.00
187	双环戊二烯	Di-Cy-pentadiene	C10H12	132.21	660.00	30.20	445.00
123	1,1,2-三氯乙烷	1,1,2-3Cl-Ethane	C2H3Cl3	133.40	612.17	47.71	281.05
472	1,1,1-三氯乙烷	1,1,1-3Cl-Ethane	C2H3Cl3	133.40	545.00	42.40	281.00
684	乙二醇酸，羟基乙二酸	Di-Glycollic Acid	134.09	725.00	43.62	331.00
510	三羟甲基丙烷	Tri-Methylol-C3	C6H14O3	134.18	709.00	38.59	416.00
762	二甲基卡必醇	Di-Mth Carbitol	C6H14O3	134.18	604.00	28.23	422.00
763	二丙烯基乙二醇	Di-Propylene Gly	C6H14O3	134.18	654.00	35.33	415.00
764	卡必醇，乙氧乙氧基乙醇	Carbitol	C6H14O3	134.18	632.00	30.99	420.00
716	3-甲基环丁砜	3-Mth-Sulfolane	C5H10O2S	134.20	817.00	41.85	353.00
77	丁苯	N-Butyl-Benzene	C10H14	134.21	660.38	28.49	497.00
188	1,2-二氯-3-乙基苯	1,2-DiC1-3-C2-Bz	C8H8Cl2	134.22	660.00	29.31	492.00
375	异丁苯	IsoButyl-Benzene	C10H14	134.22	650.15	30.00	456.00
376	仲丁苯	Sec-Butyl-Benzen	C10H14	134.22	664.54	29.12	497.00
377	叔丁苯	Tert-Butylbenzen	C10H14	134.22	660.00	29.31	492.00
378	1-甲基-2-异丙基苯	1-Mth-2-iC3-Benz	C10H14	134.22	662.00	28.92	489.00
379	1-甲基-3-异丙基苯	1-Mth-3-iC3-Benz	C10H14	134.22	657.00	28.92	485.00
380	1-甲基-4-异丙基苯	1-Mth-4-iC3-Benz	C10H14	134.22	653.15	28.00	492.00
381	1,4-二乙基苯	1,4-Diethylbenze	C10H14	134.22	657.90	27.66	497.00
382	1,2,4,5-四甲基苯	1,2,4,5-4Mth-Ben	C10H14	134.22	675.00	29.00	482.00
607	1,2,4,5-四甲基苯	1,2,4,5-TetMthBz	C10H14	134.22	675.15	29.00	482.00
840	邻-二乙基苯	M-Diethylbenzene	C10H14	134.22	663.00	28.42	488.00
841	间-二乙基苯	O-Diethylbenzene	C10H14	134.22	668.00	28.42	502.00
606	1,2,3,5-四甲基苯	1,2,3,5-TetraMet	C10H14	134.22	679.00	29.00	0.00
908	磺酰氯	Sulfuryl Chlorid	SO2Cl2	134.97	545.00	45.50	224.00
804	乙酰氨基苯	Acetylaminobenze		135.17	825.00	36.81	430.00
909	三氯硅烷	Tri-Chloro Silan	SiHCl3	135.45	479.00	41.16	268.00
528	间-甲苯甲酸	O-Toluic Acid	C8H8O2	136.15	751.00	38.09	397.00
529	邻-甲苯甲酸	P-Toluic Acid	C8H8O2	136.15	773.00	38.09	397.00
619	苯甲酸甲酯	Methyl-Benzoate	C8H8O2	136.15	693.00	35.43	436.00
722	季戊四醇	Pentaerythritol	C8H8O2	136.15	780.00	47.18	381.00
824	苄基甲醚	Benzyl-Ethyl-Eth	C9H12O	136.19	662.00	30.69	442.00
844	α-蒎烯	Alpha-Pinene	C10H16	136.24	632.00	27.24	504.00
845	β-蒎烯	Beta-Pinene	C10H16	136.24	643.00	27.24	506.00
692	1-溴丁烷	1-Bromobutane	C4H9Br	137.02	577.00	44.81	319.00
693	2-溴丁烷	2-Bromo-Butane	C4H9Br	137.02	567.00	45.70	320.00
775	邻-硝基甲苯	M-Nitrotoluene	C7H7NO2	137.14	734.00	37.50	441.00
776	间-硝基甲苯	O-Nitrotoluene	C7H7NO2	137.14	720.00	37.50	441.00
777	对-硝基甲苯	P-Nitrotoluene	C7H7NO2	137.14	736.00	37.50	441.00
911	三氯化磷	Phosphoru Tri-Cl	PCl3	137.33	563.15	55.96	260.00
215	三氯一氟甲烷	3Cl-F-Methane	CCl3F	137.37	471.20	43.50	248.00
234	全氟乙烷	Perfluoroethane	C2F6	138.01	292.80	31.30	224.00
459	水杨酸，邻羟基苯甲酸	Salicylic Acid	C7H6O3	138.12	729.00	51.12	364.00
730	邻-硝基苯胺	M-Nitroaniline	C6H6N2O2	138.13	815.00	43.62	406.00
731	间-硝基苯胺	O-Nitroaniline	C6H6N2O2	138.13	784.00	43.62	406.00
732	对-硝基苯胺	P-Nitroaniline	C6H6N2O2	138.13	851.00	43.62	406.00
825	异佛尔酮	Isophorone	C9H14O	138.21	715.00	32.87	456.00
384	顺十氢化萘，顺萘烷	Cs-Decalin	C10H18	138.25	702.20	32.00	480.00
385	反十氢化萘，反萘烷	Ts-Decalin	C10H18	138.25	687.05	28.00	480.00
609	1,3-癸二烯，癸间二烯	1,3-Decadiene	C10H18	138.25	615.00	28.00	0.00
189	正丁基环己烷	N-Butyl-Cy-Hexan	C10H20	140.27	667.00	31.10	528.50
387	异丁基环己烷	IsoButyl-Cyc-C6	C10H20	140.27	659.00	30.80	514.50
388	仲丁基环己烷]	Sec-Butyl-Cyc-C6	C10H20	140.27	669.00	26.40	528.50
389	叔丁基环己烷	Tert-Butyl-Cy-C6	C10H20	140.27	659.00	26.30	514.50
390	1-癸烯	1-Decene	C10H20	140.27	617.05	21.40	570.50
514	苯甲酰氯	Benzoyl-Chloride	C7H5ClO	140.57	697.00	40.07	367.00
713	1,5-二氯戊烷	1,5-Dichloropent	C5H10Cl2	141.04	663.00	31.48	422.00
115	一碘甲烷	Methyl-Iodide	CH3I	141.94	528.00	54.58	185.00
190	1-甲基萘	1-Mth-Napthalene	C11H10	142.20	772.10	35.22	445.00
191	2-甲基萘	2-Mth-Napthalene	C11H10	142.20	761.89	34.57	445.00
530	异丁烯酸正丁酯	N-Butyl-Methacry	C8H14O2	142.20	616.00	25.96	481.00
828	1-壬醛	1-Nonanal	C9H18O	142.24	640.00	23.00	527.00
602	二丁酮	Di-Butyl Ketone	C9H18O	142.24	640.00	23.00	0.00
391	3,3,5-三氯庚烷	3,3,5-3C1-C7	C7H13Cl3	142.29	609.60	22.90	537.40
392	2,2,3,3-四氯己烷	2,2,3,3-4C1-C6	C6H10Cl4	142.29	623.10	24.80	562.00
393	2,2,5,5-四甲基己烷	2,2,5,5-4Mth-C6	C10H22	142.29	581.50	21.60	562.00
14	正癸烷	N-Decane	C10H22	142.29	617.55	20.70	602.00
836	喹哪啶，2-甲基喹啉	Quinaldine	C10N9N	143.19	773.00	29.21	490.00
832	1-壬基胺	1-Nonylamine	C9H21N	143.27	648.00	23.29	577.00
833	三丙基胺	Tri-Propyl Amine	C9H21N	143.27	577.50	22.01	576.00
532	正丁酸正丁酯	N-Butyl-NButyrat	C8H16O2	144.21	616.00	25.07	494.00
533	辛酸	N-Octanoic Acid	C8H16O2	144.21	692.00	26.55	494.00
579	丁酸异丁酯	IsoButyl-Butyrat	C8H16O2	144.21	602.00	25.76	494.00
580	异丁酸异丁酯	IsoButyl-IsoButy	C8H16O2	144.21	602.00	25.76	494.00
578	丙酸异戊酯	IsoAmyl-Propiona	C8H16O2	144.21	611.00	24.50	0.00
581	异戊酸正丙酯	N-Propyl-Isovale	C8H16O2	144.21	609.00	24.50	0.00
605	1-壬醇	1-Nonanol	C9H20O	144.26	673.00	25.66	546.00
831	2,6-二甲基-4-庚醇	2,6-DiMth-4-C7OH	C9H20O	144.26	603.00	25.17	538.00
921	六氟化硫	Sulfur Hexafluor	SF6	146.06	318.69	37.11	198.52
517	三氟甲苯	BenzoTrifluoride	C7H5F3	146.11	565.00	33.46	356.00
453	己二酸	Adipic Acid	C6H10O4	146.14	809.00	34.84	400.00
744	二乙基草酸	Di-Ethyl Oxalate	C6H10O4	146.14	646.00	30.50	416.00
745	乙二醇二乙酸酯	Ethylene-Acetate	C6H10O4	146.14	653.00	30.50	416.00
817	叔辛基硫醇	Tert-Octyl Merca	C8H18S	146.30	627.00	25.56	529.00
167	邻二氯苯	M-Di-Cl Benzene	C6H4Cl2	147.00	683.95	38.73	365.08
168	间二氯苯	O-Di-Cl-Benzene	C6H4Cl2	147.00	684.78	38.55	368.76
169	对二氯苯	P-Di-Cl-Benzene	C6H4Cl2	147.00	684.78	38.55	368.76
712	谷氨酸	Glutamic Acid	C5H9NO4	147.13	886.00	40.80	383.26
119	二氯乙酰氯	Di-Cl Acetyl-Cl	C2HOCl3	147.39	579.00	45.49	282.17
254	1,2,3-三氯丙烷	1,2,3-3Cl-Propan	C3H5Cl3	147.43	651.00	39.00	348.00
356	邻苯二甲酸酐	Phthalic Anhydri	C8H4O3	148.12	791.00	47.00	368.00
611	五甲基苯	PentamethylBenze	C11H16	148.25	719.00	25.00	0.00
626	氟利昂13B1	Freon 13B1		148.91	340.15	39.20	200.00
457	三乙醇胺	Tri-Ethanol-Amin		149.19	787.00	24.18	472.00
383	正丁基苯胺	N-Butyl-Aniline	C10H15N	149.24	721.00	28.00	518.00
651	全氟化丙烯	Perfluoropropyle	C3F6	150.02	368.00	28.62	268.00
685	酒石酸	Tartaric Acid	C4H6O6	150.09	975.00	51.09	305.32
175	三乙基乙二醇	Tri-C2H4-Glycol		150.17	700.00	32.77	443.00
363	苯甲酸乙酯	Ethyl-Benzoate	C9H10O2	150.18	698.00	31.38	489.00
823	乙酸苄酯	Benzyl-Acetate	C9H10O2	150.18	699.00	31.38	449.00
842	对-叔丁苯酚	P-Tert-Butylphen	C10H14O	150.22	734.00	32.96	493.00
608	5-甲基-2-异丙基苯酚	Thymol	C10H14O	150.22	698.00	29.00	0.00
620	水杨酸甲酯	Methyl-Salicylat	C8H8O3	152.15	701.00	40.37	410.00
192	苊	Acenapthalene		152.20	796.94	31.79	487.44
846	樟脑，2-茨酮	Camphor	C10H16O	152.24	709.00	29.51	460.00
778	间-硝基茴香醚	O-Nitroanisole		153.14	782.00	37.11	422.00
386	辛酰基腈	Caprylonitrile		153.27	622.00	32.10	615.00
910	氯化磷	Phosphorus Chlor		153.33	602.15	0.00	0.00
99	四氯化碳	Carbon Tetra-Cl	CCl4	153.82	556.39	45.00	276.00
193	联苯	Di-Phenyl	C12H10	154.21	789.20	37.96	501.50
857	二氢苊	Acenaphthene	C12H10	154.21	803.15	30.59	553.00
396	正己基环戊烷	N-C6-Cyc-Pentane	C11H22	154.30	660.10	21.10	594.00
397	1-十一碳烯	1-Undecene	C11H22	154.30	638.00	20.03	642.00
227	一氯五氟乙烷	Cl-5F-Ethane	C2ClF5	154.47	353.20	31.20	252.00
437	乙基碘，碘乙烷	Ethyl-Iodide	C2H5I	155.97	561.00	59.11	238.00
194	2,7-二甲基萘	2，7-Di-Mth-Naptha	C12H12	156.23	778.17	31.80	515.91
610	薄荷醇	Menthol	C10H20O	156.27	646.00	24.92	558.50
848	癸醛	1-Decanal	C10H20O	156.27	657.00	21.22	580.00
15	正十一烷	N-Undecane	C11H24	156.30	638.75	19.40	660.00
515	间-氯苯甲酸	O-Cl-Benzoic Aci	C7H5ClO2	156.57	792.00	39.77	383.00
170	溴苯	Bromo-Benzene	C6H5Br	157.01	670.17	44.60	302.09
852	1-癸酰胺	1-Decylamine	C10H21NO	157.30	663.00	21.52	629.00
725	邻-氯硝基苯	M-Chloronitroben	C6H5ClNO2	157.56	742.00	39.28	432.00
726	间-氯硝基苯	O-Chloronitroben	C6H5ClNO2	157.56	757.00	39.28	432.00
727	对-氯硝基苯	P-Chloronitroben	C6H5ClNO2	157.56	751.00	39.28	432.00
531	丁酸酐	Butyric-Anhhydri	C8H14O3	158.20	639.00	26.55	501.00
195	1,2,3-三甲基茚	1,2,3-TrMth-Inde	C12H14	158.24	727.00	31.05	483.00
537	正壬酸	N-Nonanoic Acid	C9H18O2	158.24	703.00	24.18	547.00
851	8-甲基-1-壬醇	8-Mth-1-Nonanol	C10H22O	158.28	644.00	22.50	591.00
394	1-癸醇	1-Decanol	C10H22O	158.29	690.00	23.39	599.00
98	溴	Bromine	Br2	159.81	584.17	102.00	135.00
784	丙二酸二乙酯	Di-Ethyl Malonat	C7H12O4	160.17	653.00	27.44	469.00
862	环己基苯	Cyclohexylbenzen	C12H16	160.26	744.00	28.42	555.10
636	溴三氟乙烷	Bromo-TriF-C2	C2H2BrF3	160.92	432.00	44.21	239.00
518	2,4-二氯甲苯	2,4-2Cl-Toluene	C7H6Cl2	161.03	705.00	35.43	404.00
816	丁氧基环丁烷	Butoxydiethylene	C8H16O	162.23	654.00	25.27	526.00
863	邻-二异丙基苯	M-Diisopropylben	C12H18	162.27	684.00	24.18	600.00
864	对-二异丙基苯	P-Diisopropylben	C12H18	162.27	689.00	24.18	598.00
865	己基苯	Hexylbenzene	C12H18	162.27	698.00	23.49	618.00
612	六甲苯	Hexa-Mth-Benzene	C12H18	162.28	758.00	24.00	0.00
835	1-氯萘	1-Chloronaphthal	C10H7Cl	162.62	785.00	33.56	434.00
853	对-叔戊基苯酚	P-Tert-Amylpheno	C11H16O	164.25	751.00	29.41	546.00
624	氟利昂12B1	Freon 12B1		165.37	426.15	41.98	246.00
231	四氯乙烷	4Cl-Ethylene	C2H2Cl4	165.83	620.00	44.00	248.00
652	六氟代丙酮	HexaFluoroAceton	C3F6O	166.02	357.14	28.00	329.00
462	间苯二酸	IsoPhthalic Acid	C8H6O4	166.13	1392.00	38.98	424.00
463	对苯二酸	TerePhthalic Aci	C8H6O4	166.13	1390.00	38.98	424.00
525	苯二甲酸	Phthalic Acid	C8H6O4	166.13	1390.00	38.98	424.00
196	芴	Fluorene	C13H10	166.22	870.00	46.39	400.00
843	对-叔丁基邻苯二酚	P-Tert-Butylcate		166.22	776.00	37.21	511.00
867	1,2-二丁基环己烷	1,1-By-Cyc-Hexyl		166.31	727.00	25.27	598.00
856	二苯甲酰基吡咯	Di-Benzopyrrole		167.21	899.00	32.17	482.00
471	1,1,2,2-四氯乙烷	1,1,2,2-4Cl-Etha	C2H2Cl4	167.85	645.00	40.36	325.00
404	二苯甲烷	Di-Phenyl Methan	C13H12	168.24	768.00	28.82	547.00
400	1-十二碳烯	1-Dodecene	C12H24	168.32	657.00	18.65	700.00
399	正庚基环戊烷	N-C7-Cyc-Pentane	C12H24	168.32	679.00	19.20	649.00
858	二苯胺	Di-Phenyl Amine	C12H11N	169.23	817.00	31.38	539.00
912	三氯硫化磷	Tri-Cl-Phos Sulf	PSCl3	169.40	0.00	0.00	0.00
914	四氯化硅	Silicon Tetrachl	SiCl4	169.90	507.00	35.46	326.00
664	2-碘丙烷	Isopropyl Iodide	C3H7I	169.99	578.00	50.53	290.00
665	碘丙烷	Propyl-Iodide	C3H7I	169.99	593.00	49.64	290.00
398	二苯醚	Di-Phenyl Ether	C12H10O	170.21	763.00	30.89	502.00
197	1-甲基乙基萘	1-Mth-Eth-Naptha	C1314	170.26	774.11	27.80	532.26
198	2,3,5-三甲基萘	2,3,5-TriMth-Nap	C1314	170.26	788.28	27.80	539.69
16	正十二烷	N-Dodecane	C12H26	170.33	658.25	17.90	718.00
228	1,1-二氯-1,2,2,2-四氟乙烷	11-2Cl-1222-4FC2	C2Cl2F4	170.92	418.60	32.60	294.00
229	1,2-二氯-1,1,2,2-四氟乙烷	12-2Cl-1122-4FC2	C2Cl2F4	170.92	418.90	32.20	293.00
772	对-溴甲苯	P-Bromotoluene	C7H7Br	171.04	699.00	43.13	379.00
538	正癸酸	N-Decanoic Acid	C10H20O2	172.27	713.00	22.21	600.00
849	乙酸2-乙基-己酯	2-Eth-Hex-Acetat	C10H20O2	172.27	639.00	21.42	600.00
850	异戊基异戊醛	Isopentyl Isoval	C10H20O2	172.27	637.00	21.71	600.00
855	1-十一烷醇	1-Undecanol	C11H24O	172.31	704.00	20.53	643.00
219	二溴甲烷	Di-Bromo Methane	CH2Br2	173.84	611.00	71.00	235.00
536	二异氰基甲苯	Toluene-Diisocya		174.16	737.00	30.00	525.00
568	丁二酸二乙酯	Di-Ethyl Succina	C8H14O4	174.20	660.00	24.97	522.00
513	邻-氯苯甲酰氯	M-Cl-Benzoyl-Chl		175.01	724.00	36.32	406.00
814	乙酸卡必酯	Carbitol Acetate		176.21	660.00	23.88	565.00
199	菲	Phenanthrene	C14H10	178.23	879.30	28.61	634.00
407	蒽	Anthracene		178.23	881.00	28.62	554.00
539	二苯乙炔	Di-Phenyl Acetyl		178.23	832.00	28.62	611.00
395	苯甲酸丁酯	Butyl-Benzoate	C11H14O2	178.23	723.00	26.00	561.00
756	α-右型葡萄糖	Alpha-D-Glucose		180.16	0.00	0.00	0.00
875	Z-1,2-二苯醚	Z-1,2-DiPh-Ethen	C12H10O	180.25	757.00	27.04	584.00
876	E-1,2-二苯醚	E-1,2-DiPh-Ether	C12H10O	180.25	820.00	27.04	578.00
512	对-氯三氟甲苯	P-Cl-Benzo-Trifl		180.56	601.00	29.71	399.00
166	1,2,4-三氯苯	1,2,4-Tri-Cl-Bze		181.45	725.00	39.34	401.54
102	三氯乙酰氯	Tri-Cl-Acetyl-Cl		181.83	589.67	40.46	329.00
456	山梨酸	Sorbitol	C6H14O6	182.17	959.00	45.79	483.00
872	二苯（甲）酮，苯酮	Benzophenone		182.22	816.00	29.71	591.00
878	1,1-二苯基乙烷	1,1-Diphenyletha		182.26	775.00	26.45	604.00
879	1,2-二苯基乙烷	1,2-Diphenyletha		182.26	780.00	26.15	606.00
406	十三碳烯	1-Tridecene	C13H26	182.35	675.00	17.47	756.00
405	正辛基环戊烷	N-C8-Cyc-Pentane	C13H26	182.35	694.00	17.70	704.00
859	对-氨基二苯胺	P-Amino-diph-ami		184.24	867.00	31.48	596.00
860	1,2-亚肼基苯，二苯肼	Hydrazobenzene		184.24	792.00	30.50	556.00
854	2-乙基-己基-丙烯醛	2-Eth-Hex-Acryla		184.28	655.00	20.43	639.00
868	十二（烷）醛	Dodecanal	C12H24O	184.32	685.00	18.36	685.00
17	正十三烷	N-Tridecane	C13H28	184.37	675.75	17.00	780.00
403	三丁基胺	Tri-Butyl-Amine	C12H27N	185.35	644.00	17.76	735.00
871	十二烷胺	Dodecylamine	C12H27N	185.35	696.00	18.55	735.00
317	全氟苯	Perfluorobenzene	C6F6	186.06	516.73	32.30	335.00
401	己醚，二己基醚	Di-Hexyl Ether	C12H26O	186.34	658.00	18.00	698.00
402	十二烷醇	Dodecanol	C12H26O	186.34	721.00	19.04	696.00
230	1,2,2-三氯-1,1,2-三氟乙烷	122-3Cl-112-3FC2	C2Cl3F3	187.38	487.20	33.70	304.00
435	1,2-二溴乙烷	1,2-DiBrom-Ethan		187.86	650.15	54.05	261.57
647	二溴化乙烯	Ethylene-Dibromi		187.86	650.15	54.05	261.57
769	3,4-二氯芬	3,4-Dichlorophen		188.01	733.00	32.86	456.00
653	全氟化丙烷	Perfluoropropane	C6F6	188.02	345.05	26.45	299.00
827	壬二酸，杜鹃花酸	Azelaic Acid	C9H16O4	188.22	806.00	25.27	570.00
819	特乙基胺	Tetr-Ethyln-5Ami		189.30	774.00	24.97	636.00
535	1,2,4-苯三酸酐	Tri-Melitic Anhy		192.13	890.00	40.26	462.00
740	柠檬酸	Citric Acid	C6H8O7	192.13	1109.00	37.48	419.68
200	1-苯基茚	1-Phenyl-Indene		192.26	843.67	26.61	598.37
915	四氯化矾	Vanadium Tetrach		192.75	0.00	0.00	0.00
464	对苯二甲酸二甲酯	Di-Methyl Tereph	C10H10O4	194.19	772.00	27.44	529.00
838	苯二甲酸二甲酯	Di-Methyl Phthal	C10H10O4	194.19	766.00	27.44	530.00
179	特乙基乙二醇	Tetr-C2H4-Glycol		194.23	722.00	25.90	646.19
201	2-乙基芴	2-Ethyl-Fluorene		194.28	811.05	24.33	629.15
516	三氯甲苯	BenzoTrichloride	C7H5Cl3	195.48	737.00	32.96	447.00
839	顺丁烯二烯丙基二酯	Di-Allyl Maleate		196.20	693.00	23.00	606.00
408	正壬基环戊烷	N-C9-Cyc-Pentane	C14H28	196.38	710.50	16.30	759.00
409	十四碳烯	1-Tetra-Decene	C14H28	196.38	692.00	16.38	817.00
638	氟利昂123B1	Freon 123B1		197.38	521.00	38.69	296.00
880	二苄基醚，二苯甲基醚	Di-Benzyl Ether		198.26	777.00	25.27	608.00
625	三氯一溴甲烷	Bromo-TriCl-C1		198.27	606.00	49.05	284.00
18	正十四烷	N-Tetradecane	C14H30	198.39	691.85	16.00	830.00
672	全氟 2-丁烯	Perfluoro-2-Bute	C4F8	200.03	392.00	23.00	347.00
673	全氟环丁烷	Perfluoro-Cyc-C4	C4F8	200.03	388.37	27.41	324.80
869	十二（烷）酸	Dodecanoic Acid	C12H24O2	200.32	734.00	19.15	705.00
874	1-十三烷醇	1-Tridecanol	C13H28O	200.37	731.00	17.86	749.00
847	癸二酸	Sebacic Acid	C10H18O2	202.25	793.00	23.19	630.00
202	荧蒽	Fluoranthene		202.26	905.00	25.76	693.10
203	芘，嵌二萘	Pyrene		202.26	936.00	26.25	694.00
640	五氯乙烷	Pentachloroethan	C2HCl5	202.29	665.00	36.32	369.00
870	十二烷硫醇	Dodecylthiol	C12H26S	202.40	724.00	18.16	729.00
232	1,1,2,2-四氯-1,2二氟乙烷	1122-4Cl-12-FC2	C2Cl4F2	203.83	551.00	32.90	314.00
172	碘苯	Iodobenzene	C6H5I	204.01	721.17	44.62	352.72
204	1-苯基萘	1-Phenyl-Naphtal		204.27	849.10	25.96	656.00
834	1-溴萘	1-Bromonaphthale		207.07	824.00	36.52	453.00
916	五氯化磷	Phosphoric Chlor		208.24	646.15	0.00	0.00
627	氟利昂12B2	Freon 12B2		209.82	478.00	52.60	249.00
410	正癸基环戊烷	N-C10-Cyc-Pentan	C15H30	210.41	723.80	15.00	814.00
411	1-十五碳烯	1-Pentadecene	C15H30	210.41	704.00	15.48	845.00
877	苯甲酸苄酯	Benzyl-Benzoate		212.25	820.00	25.46	694.00
884	对-枯基苯酚	P-Cumylphenol		212.29	834.00	26.45	659.00
19	正十五烷	N-Pentadecane	C15H32	212.42	706.76	15.00	890.00
883	十四（烷）胺	Tetr-Decylamine	C14H31N	213.41	722.30	16.38	887.00
873	十二烷酸甲酯	Methyl-Dodecanoa	C13H26O2	214.35	712.00	17.17	758.00
882	1-十四烷醇	1-Tetradecanol	C14H30O	214.39	741.00	16.78	802.00
511	2,4-二氯三氟甲苯	2,4-2Cl-Benzo-3F		215.00	646.00	27.73	443.00
826	三乙酸丙三酯	Glyceryl Triacet		218.21	704.00	22.80	625.00
890	癸基苯	Decylbenzene		218.38	753.00	17.47	881.00
886	2,6-二氯特丁烷	2,6-Di-Tert-Buty		220.35	720.00	20.82	757.00
887	壬基苯酚	Nonylphenol		220.35	757.00	20.43	747.00
861	邻苯二甲酸二乙酯	Di-Ethyl Phthala		222.24	757.00	23.00	635.00
413	1-十六碳烯	1-Hexadecene	C16H32	224.43	722.00	14.61	933.00
412	正癸基环己烷	N-C10-Cyc-Hexane		224.43	750.00	13.40	858.50
768	1-氯-2-胺基-四氟苯	Benz,1Cl-2N-4TrF		225.55	686.00	27.04	490.00
20	正十六烷	N-Hexadecane	C16H34	226.45	725.00	14.00	930.00
913	三氯化锑	Antimony Trichlo		228.11	794.00	47.57	270.00
205	屈	Chrysene		228.29	979.00	23.59	690.00
866	二丁基顺丁烯二酸	Di-Butyl Maleate		228.29	716.00	18.75	719.00
885	双酚A22-双对羟苯基丙烷	Bisphenol A		228.29	849.00	28.92	677.00
881	十四烯二酸	Tetr-Decanoic Ac		228.38	756.00	16.78	811.00
416	间三联苯	O-Terphenyl		230.31	890.95	38.50	752.64
417	邻三联苯	M-Terphenyl		230.31	924.80	34.60	784.00
540	对-三联苯	P-Terphenyl		230.31	925.95	32.80	762.61
470	六氯乙烷	Hexa-Cl-Ethane		236.74	698.00	32.96	412.00
674	全氟丁烷	Perfluorobutane		238.03	386.35	22.93	397.00
414	正十二烷基环戊烷	N-C12-Cyc-Pentan		238.46	750.00	12.80	924.00
21	正十七烷	N-Heptadecane	C17H36	240.48	735.00	13.00	980.00
888	十五烷酸	Pentadecanoic Ac		242.40	766.00	15.79	864.00
892	1-十六（烷）醇	1-Hexadecanol		242.45	761.00	14.90	907.00
465	正十二烷基苯	N-Dodecylbenzene		246.43	774.26	15.58	999.99
418	十八碳烯	1-Octadecene		252.49	748.00	13.23	1010.00
419	正十三烷基环戊烷	N-C13-Cyc-Pentan		252.49	761.00	14.07	979.00
630	溴仿，三溴甲烷	Bromoform		252.73	696.00	60.10	286.00
896	1-壬基萘	1-Nonylnaphthale		254.41	849.00	16.58	1000.00
89	正十八烷	N-Octadecane	C18H38	254.48	745.25	12.00	1000.00
900	三苯乙烯	Tri-Phnl-Ethylen		256.35	908.00	20.73	860.00
891	十六烷酸	HexaDecanoic Aci	C16H34O	256.43	776.00	14.90	917.00
415	十七烷醇	Heptadecanol	C17H36O	256.47	770.00	14.11	960.00
637	四氟二溴乙烷，氟利昂	Freon 114B2		259.82	487.80	33.49	341.00
897	十三烷基苯	Tri-Decylbenzene		260.46	783.00	14.80	1060.00
480	六氯-1,3-丁二烯	HexaCl-1,3-Btdie		260.76	741.00	28.03	491.00
421	正十四烷基环戊烷	N-C14-Cyc-Pentan	C19H38	266.51	772.00	13.38	1034.00
616	1-环戊基丁烷	1-Cyc-Pentyl-Tet		266.51	772.00	11.05	0.00
635	二碘甲烷	Di-Iodo Methane		267.84	747.00	53.99	272.00
901	1-癸基萘	1-Decylnaphthale		268.44	859.00	15.59	1070.00
90	正十九烷	N-Nonadecane	C19H40	268.51	756.16	11.02	1100.00
420	十八碳醇	1-Octadecanol	C18H38O	270.50	777.00	13.42	1048.00
895	二壬基醚	Di-Nonyl Ether	C18H38O	270.50	736.00	12.83	1020.00
488	六氯代环戊二烯	HexaCl-Cy-Pntdie		272.77	746.00	29.71	526.00
889	二丁基邻苯二亚甲基	Di-Butyl Phthala		278.35	781.00	17.27	846.00
541	亚油酸	Linoleic Acid	C18H32O2	280.45	775.00	13.92	990.00
422	正十五烷基环戊烷	N-C15-Cyc-Pentan	C20H40	280.54	780.00	12.75	1089.00
617	1-环戊基戊烷	1-Cyc-Pentyl-C5		280.54	780.00	10.07	0.00
542	油酸	Oleic Acid	C18H34O2	282.46	781.00	13.72	1000.00
91	正二十烷	N-Eicosane	C20H42	282.54	767.15	11.00	1100.00
543	硬脂酸，十八烷酸	Stearic Acid	C18H36O2	284.48	799.00	13.42	1020.00
496	六氯代苯	6Cl-Benzene	C6Cl6	284.78	825.00	28.13	526.00
424	正十六烷基环戊烷	N-C16-Cyc-Pentan	C21H42	294.57	791.00	12.18	1144.00
898	油酸甲酯	Methyl-Oleate	C19H36O2	296.49	764.00	12.63	1060.00
899	十九（烷）酸	Nonadecanoic Aci	C19H38O2	298.51	810.00	12.83	1080.00
423	1-二十烷醇	1-Eicosanol	C20H42O	298.55	792.00	12.24	1158.00
318	全氟环己烷	PerfluoroCycC6	C6F12	300.05	457.20	24.00	442.00
902	枞香酸，松香酸	Abietic Acid		302.46	832.00	16.58	930.00
893	癸二酸二丁酯	Di-Butyl Sebacat		314.47	768.00	13.03	1050.00
894	己二酸酸二己酯	Di-Hexyl Adipate		314.47	767.00	13.03	1030.00
905	四苯乙烯	Tetr-Phnl-Ethyle		332.45	996.00	16.88	1020.00
319	全氟正己烷	Perfluoro-nC6		338.04	451.70	18.80	442.00
903	硬脂酸丁酯	Butyl-Stearate		340.59	764.00	10.96	1230.00
641	四溴乙烷	Tetr-Bromoethane	C2H2Br4	345.65	824.00	45.40	401.00
904	二壬基苯酚	Di-Nonyl Phenol		346.60	886.00	12.24	1220.00
338	1,4-氟-甲基环己烷	1,4F-Mth-Cyc-C6		350.06	486.80	23.00	519.00
324	全氟正庚烷	Perfluoro-nC7	C7F14	388.05	474.80	16.00	664.00
466	邻苯二甲酸二甲酯	Di-Octyl Phthala		390.56	806.00	11.65	1270.00
467	酞酸二异癸酯	Di-Isodecyl-Phta		446.67	887.00	9.87	1460.00

热力学计算包简介

注:所有的保护密码均为

hgbbs

1)纯物质物性的计算

临界温度

PureData

列

临界压力

atm

PureData

列

SI转换

101.3

Kpa

临界体积

cm^3/mol

PureData

列

SI转换

0.001

M^3/Kmol

常压沸点

Tboil

PureData

列

1atm 下沸点

偏心因子

Omega

无因次

PureData

列

溶解度参数

SolPar

J/m^3

PureData

Ｋ

列

for Chao-seader equations [(cal/cubic_cm)^0.5]

分子体积常数

Volcon

cm^3/mol

PureData

Ｌ

列

Liquid molar volume constant [cubic_cm/gmole]

Cavets's equation

cm^3/mol

SI转换

0.001

M^3/Kmol

汽化潜热

Hvap

cal/mole

PureData

Ｍ

列

SI转换

4.183076

KJ/Kmol

理想气体生成热

Hform

Kcal/mole

PureData

Ｎ

列

SI转换

4183.076

KJ/Kmol

Gibbs自由能

Hgibbs

Kcal/mole

PureData

列

SI转换

4183.076

KJ/Kmol

理想气体等压热容常数

PureData

P-U

列

其中:

T, 温度, 单位. K

Cp, 理想气体等压热容, Kcal/Kmol.K,

SI转换

4.183076

KJ/Kmol.K

a, b,c,d,e,f 系数, 见PureData 列 P, Q, R, S, T, U列

修正偏心因子

ActFact

PureData

列

修正的偏心因子,Acentric factor, so-called omega in PR/SRK

液相表面张力

无因次

对比温度

N/m

表面张力

StnA, B

PureData

W,X

列

蒸汽压常数

mmHg

SI转换

0.1333224

Kpa

A, B, C, Antoine常数

PureData

Y,Z,AA

列

液相密度

Y(kmol/m^3)=A/(B ^(1+(1-T/C)^D) ) T in K

Kmol/m^3

!!!

A, B, C, D

PureData

AB-AE

列

液相粘度

Vis

SI转换

Pa.S

Pa.S=CP

VisA, VisB

PureData

AF-AG

列

偶极矩

DipolM

Debyes

PureData

列

用于计算气体粘度

Stiehl极性因子

StielF

PureData

列

用于计算气体粘度

极性参数

PolarD

PureData

列

用于计算气体粘度

特征能量

EpsDivK

PureData

列

用于计算气体粘度

分子直径

MolDia

angstrom

PureData

列

用于计算气体粘度

1E-10 m

Rackett常数

Zra

无因次

PureData

列

- Zra，是计算烃密度时使用的一个常数，如未知，可通过临界压缩因子来估计。

m^3/Kmol

温度T时,饱和液体分子体积

8.314

M^3.Kpa/(Kmol.K)

无因次

对比温度

液相热容

其中:

T, 温度, 单位. K

CpL

J/Kmole.K

SI转换

0.001

KJ/Kmol.K

A, B, C,D, E

PureData

AN-AR

列

汽化热

DHv

J/Kmole

SI转换

0.001

KJ/Kmol

A, B, C,D,

PureData

AS-AV

列

Reid

0.6<Tr<1.0

纯物质物性计算 PureData 计算原理

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