Benzonitrile
- Formula: C7H5N
- Molecular weight: 103.1213
- IUPAC Standard InChIKey: JFDZBHWFFUWGJE-UHFFFAOYSA-N
- CAS Registry Number: 100-47-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Benzene, cyano-; Benzoic acid nitrile; Cyanobenzene; Phenyl cyanide; Benzenenitrile; Fenylkyanid; UN 2224
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 219.0 | kJ/mol | N/A | Lebedev, Bykova, et al., 1985 | Value computed using ΔfHliquid° value of 163.2±1.5 kj/mol from Lebedev, Bykova, et al., 1985 and ΔvapH° value of 55.8 kj/mol from Evans and Skinner, 1959.; DRB |
ΔfH°gas | 219. | kJ/mol | Ccb | Evans and Skinner, 1959 | ALS |
Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | 163.2 ± 1.5 | kJ/mol | Ccb | Lebedev, Bykova, et al., 1985 | see Lebedev, Bykova, et al., 1984; ALS |
ΔfH°liquid | 163.2 ± 1.5 | kJ/mol | Ccb | Evans and Skinner, 1959 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -3632.3 ± 1.5 | kJ/mol | Ccb | Lebedev, Bykova, et al., 1985 | see Lebedev, Bykova, et al., 1984; ALS |
ΔcH°liquid | -3632.3 | kJ/mol | Ccb | Evans and Skinner, 1959 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 209.1 | J/mol*K | N/A | Lebedev, Bykova, et al., 1985, 2 | DH |
S°liquid | 209.1 | J/mol*K | N/A | Lebedev, Bykova, et al., 1984, 2 | DH |
S°liquid | 209.1 | J/mol*K | N/A | Bykova, Lebedev, et al., 1983 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
161.1 | 298.15 | Mirzaliev, Shakhuradov, et al., 1987 | T = 273 to 453 K. Unsmoothed experimental datum given as 1.496 kJ/kg*K at 293 K. Cp(liq) = 1.2396 + 8.7x10-5T/K + 3.3333x10-6T2/K2 kJ/kg*K (273 to 453 K).; DH |
166.24 | 298.15 | Lainez, Rodrigo, et al., 1985 | DH |
165.2 | 298.15 | Lebedev, Bykova, et al., 1985, 2 | T = 5 to 330 K.; DH |
166.52 | 298.15 | Tanaka, Nakamichi, et al., 1985 | DH |
165.2 | 298.15 | Lebedev, Bykova, et al., 1984, 2 | T = 25 to 330 K.; DH |
165.2 | 298.15 | Bykova, Lebedev, et al., 1983 | T = 5 to 330 K.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Henry's Law data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 464. ± 1. | K | AVG | N/A | Average of 14 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 263. ± 20. | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 260.33 | K | N/A | Lebedev, Bykova, et al., 1985, 2 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 260.33 | K | N/A | Lebedev, Bykova, et al., 1984, 3 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 260.33 | K | N/A | Bykova, Lebedev, et al., 1983, 2 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 701. ± 4. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 42.15 | bar | N/A | Steele, Chirico, et al., 1994 | Uncertainty assigned by TRC = 0.04 bar; TRC |
Pc | 42.20 | bar | N/A | Guye and Mallet, 1902 | Uncertainty assigned by TRC = 1.0132 bar; TRC |
Pc | 42.1512 | bar | N/A | Guye and Mallet, 1902, 2 | Uncertainty assigned by TRC = 1.5199 bar; TRC |
Pc | 42.1512 | bar | N/A | Guye and Mallet, 1902, 2 | Uncertainty assigned by TRC = 1.5199 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.037 | mol/l | N/A | Steele, Chirico, et al., 1994 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 55.48 | kJ/mol | V | Evans and Skinner, 1959 | ALS |
ΔvapH° | 55.8 | kJ/mol | N/A | Evans and Skinner, 1959 | DRB |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
342. | 0.013 | Buckingham and Donaghy, 1982 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
49.1 | 316. | A | Stephenson and Malanowski, 1987 | Based on data from 301. to 464. K. See also Stull, 1947.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
301.4 to 463.8 | 4.85401 | 2110.572 | -28.331 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.980 | 260.33 | Lebedev, Bykova, et al., 1985, 2 | DH |
10.980 | 260.332 | Lebedev, Bykova, et al., 1984, 2 | DH |
10.980 | 260.33 | Bykova, Lebedev, et al., 1983 | DH |
10.98 | 260.3 | Lebedev, Bykova, et al., 1985 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
42.16 | 260.33 | Lebedev, Bykova, et al., 1985, 2 | DH |
42.16 | 260.332 | Lebedev, Bykova, et al., 1984, 2 | DH |
42.16 | 260.33 | Bykova, Lebedev, et al., 1983 | DH |
Henry's Law data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
1.8 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. Value at T = 373. K. |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Apiezon L | 100. | 953. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | Squalane | 100. | 936. | Evans and Smith, 1967 | H2/N2=3/1, Celite; Column length: 2. m |
Packed | Apiezon L | 130. | 965. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-54 | 973. | Rembold, Wallner, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 994. | Solina, Baumgartner, et al., 2005 | 25. m/0.2 mm/1. μm, He, 5. K/min, 280. C @ 5. min; Tstart: 40. C |
Capillary | DB-1 | 937.3 | Sun and Stremple, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C |
Capillary | DB-5 | 987.9 | Xu, van Stee, et al., 2003 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
Capillary | DB-5 | 986. | Dallüge, van Stee, et al., 2002 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
Capillary | DB-1 | 940.1 | Helmig, Pollock, et al., 1996 | 30. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
Capillary | DB-5 | 983.4 | Helmig, Pollock, et al., 1996 | 60. m/0.33 mm/0.25 μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
Capillary | SE-54 | 976. | Weber, 1986 | 25. m/0.31 mm/0.17 μm, H2, 2. K/min; Tstart: 35. C |
Capillary | SE-54 | 983. | Weber, 1986 | 25. m/0.31 mm/0.17 μm, H2, 2. K/min; Tstart: 35. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5MS | 1003. | Varlet V., Knockaert C., et al., 2006 | 30. m/0.32 mm/0.5 μm, He; Program: 70C(1min) => 3C/min => 80C(1min) => 5C/min => 150C => 10C/min => 280C (4min) |
Capillary | 5 % Phenyl methyl siloxane | 981. | Yasuhara, Shiraishi, et al., 1997 | 25. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-351 | 1583. | Bonvehí, 2005 | 50. m/0.32 mm/0.2 μm, He, 5. K/min; Tstart: 60. C; Tend: 220. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Polydimethyl siloxane | 105. | 956. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Polydimethyl siloxane | 75. | 947. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Polydimethyl siloxane | 90. | 951. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Methyl Silicone | 100. | 954. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 120. | 962. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 140. | 970. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 80. | 948. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 989. | Radulovic, Blagojevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
Capillary | HP-5 | 989.9 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
Capillary | DB-5MS | 985. | paz Lima, Silva, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | SE-54 | 982. | Ding, Deng, et al., 1998 | 35. C @ 3. min, 4. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane with 5 % Ph groups | 993. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 994. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | Siloxane, 5 % Ph | 984. | VOC BinBase, 2012 | Program: not specified |
Capillary | Polydimethyl siloxane, 5 % phenyl | 984. | Skogerson, Wohlgemuth, et al., 2011 | Program: not specified |
Capillary | SE-30 | 965. | Vinogradov, 2004 | Program: not specified |
Capillary | SPB-5 | 988. | Begnaud, Pérès, et al., 2003 | 60. m/0.32 mm/1. μm; Program: not specified |
Capillary | CP Sil 5 CB | 951. | Counet, Callemien, et al., 2002 | 50. m/0.32 mm/1.2 μm; Program: 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min) |
Capillary | SE-54 | 981. | Ding, Deng, et al., 1998 | Column length: 25. m; Column diameter: 0.31 mm; Program: not specified |
Capillary | SPB-1 | 965. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | DB-5 | 992. | Mateo and Zumalacárregui, 1996 | 50. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) |
Capillary | DB-5 | 992. | Mateo and Zumalacárregui, 1996 | 50. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) |
Capillary | DB-1 | 943. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | SPB-1 | 965. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
Capillary | DB-1 | 943. | Buttery, Teranishi, et al., 1990 | Column length: 60. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Methyl Silicone | 958. | Zenkevich and Kuznetsova, 1990 | Program: not specified |
Capillary | Polydimethyl siloxane, unknown content of Ph-groups | 987. | Geldon, 1989 | Program: not specified |
Capillary | OV-101 | 965. | Shibamoto, 1987 | Program: not specified |
Capillary | OV-101 | 955. | Zenkevich and Malamakhov, 1987 | He; Column length: 50. m; Column diameter: 0.24 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 1629. | Soria, Sanz, et al., 2008 | 50. m/0.20 mm/0.20 μm, Helium, 45. C @ 2. min, 4. K/min, 190. C @ 50. min |
Capillary | TC-Wax | 1591. | Fukami, Ishiyama, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | Carbowax 20M | 1570. | Xue, Ye, et al., 2000 | He, 60. C @ 2. min, 5. K/min, 190. C @ 20. min; Column length: 25. m; Column diameter: 0.3 mm |
Capillary | DB-Wax | 1614. | Iwatsuki, Mizota, et al., 1999 | 4. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1583. | Vinogradov, 2004 | Program: not specified |
Capillary | Carbowax 20M | 1583. | Shibamoto, 1987 | Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 150.1 | Wang, Hou, et al., 2007 | 30. m/0.30 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min, 200. C @ 15. min |
Capillary | HP-5 | 150.4 | Shao, Wang, et al., 2006 | 30. m/0.3 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min, 200. C @ 15. min |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lebedev, Bykova, et al., 1985
Lebedev, B.V.; Bykova, T.A.; Kiparisova, E.G.; Chernomordik, Yu.A.; Kurapov, A.S.; Sergeev, V.A.,
Thermodynamic study of benzonitrile, the process of its cocyclotrimerization with phenylacetylene, and the 2,4,6-triphenylpyridine that is formed, in the interval 0-330°K,
Bull. Acad. Sci. USSR, Div. Chem. Sci., 1985, 274-279. [all data]
Evans and Skinner, 1959
Evans, F.W.; Skinner, H.A.,
The heats of combustion of organic compounds of nitrogen Part 2.-n-Propyl, isopropyl and phenyl cyandies,
Trans. Faraday Soc., 1959, 55, 255-259. [all data]
Lebedev, Bykova, et al., 1984
Lebedev, B.V.; Bykova, T.A.; Kiparisova, E.G.; Pankratov, V.A.; Mitina, L.M.; Korshak, V.V.,
Thermodynamics of benzonitrile, of its cyclotrimerization process, and of the triphenyl-s-triazine formed in the range 0-300°K,
J. Gen. Chem. USSR, 1984, 54, 1209-1214. [all data]
Lebedev, Bykova, et al., 1985, 2
Lebedev, B.V.; Bykova, T.A.; Kiparisova, Y.G.; Chernomordik, Yu.A.; Kurapov, A.S.; Sergeev, V.A.,
Thermodynamic study of benzonitrile, the process of its cocyclotrimerization with phenylacetylene, and the resulting 2,4,6-triphenylpyridine at 0-300 K, Izv. Akad. Nauk SSSR,
Ser. Khim., 1985, (2), 301-306. [all data]
Lebedev, Bykova, et al., 1984, 2
Lebedev, B.V.; Bykova, T.A.; Kiparisova, Y.G.; Pankratov, V.A.; Mitina, L.M.; Korshak, V.V.,
Thermodynamics of benzonitrile, of its cyclotrimerization process, and of the triphenyl-s-triazine formed in the range 0-330°K,
Zhur. Obsch. Khim., 1984, 54, 1352-1358. [all data]
Bykova, Lebedev, et al., 1983
Bykova, T.A.; Lebedev, B.V.; Tarasov, E.N.,
Thermodynamics of benzonitrile in the range, 1983, Termodin. [all data]
Mirzaliev, Shakhuradov, et al., 1987
Mirzaliev, A.A.; Shakhuradov, Sh.G.; Guseinov, S.O.,
Investigation of the isobaric heat capacity of nitriles at different temperatures, Izv. Vyssh. Ucheb. Zaved.,
Neft i Gaz, 1987, 30(4), 55-58. [all data]
Lainez, Rodrigo, et al., 1985
Lainez, A.; Rodrigo, M.; Roux, A.H.; Grolier, J.-P.E.; Wilhelm, E.,
Relations between structure and thermodynamic properties. Heat capacities of polar substances (nitrobenzene and benzonitrile) in alkane solutions,
Calorim. Anal. Therm., 1985, 16, 153-158. [all data]
Tanaka, Nakamichi, et al., 1985
Tanaka, R.; Nakamichi, T.; Murakami, S.,
Molar excess heat capacities and volumes for mixtures of benzomitrile with cyclohexane between 10 and 45°C,
J. Solution Chem., 1985, 14(11), 795-803. [all data]
Lebedev, Bykova, et al., 1984, 3
Lebedev, B.V.; Bykova, T.A.; Kiparisova, E.G.; Pankratov, V.A.; Mitina, L.M.; Korshak, V.V.,
Thermodynamics of Benzonitrile, Its Cyclotrimerization and the Resulting Triphenyltriazine in the 0-330 K Range,
Zh. Obshch. Khim., 1984, 54, 1352. [all data]
Bykova, Lebedev, et al., 1983, 2
Bykova, T.A.; Lebedev, B.V.; Tarasov, E.N.,
Thermodynamics of benzonitrile in the range 0-330 K,
Termodin. Org. Soedin., 1983, 48-52. [all data]
Steele, Chirico, et al., 1994
Steele, W.V.; Chirico, R.D.; Hossenlopp, I.A.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.,
DIPPR project 871. Determination of ideal-gas enthalpies of formation for key compounds. The 1990 project results,
Experimental Results for DIPPR 1990-91 Projects on Phase Equilibria and Pure Component Properties, 1994, 1994, DIPPR Data Ser. No. 2, p. 188-215. [all data]
Guye and Mallet, 1902
Guye, P.A.; Mallet, E.,
Critical Constant and Molecular Complexity of Several Organic Compds.,
C. R. Hebd. Seances Acad. Sci., 1902, 133, 168. [all data]
Guye and Mallet, 1902, 2
Guye, P.A.; Mallet, E.,
Measurement of Critical Constants,
Arch. Sci. Phys. Nat., 1902, 13, 274-296. [all data]
Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M.,
Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Brown, Chapman, et al., 1968
Brown, I.; Chapman, I.L.; Nicholson, G.J.,
Gas chromatography of polar solutes in electron acceptor stationary phases,
Aust. J. Chem., 1968, 21, 5, 1125-1141, https://doi.org/10.1071/CH9681125
. [all data]
Evans and Smith, 1967
Evans, M.B.; Smith, J.F.,
Gas chromatography in qualitative analysis. IV. An investigation of the changes in relative rentention data accompanying the oxidation of apolar stationary phases,
J. Chromatogr., 1967, 28, 277-284, https://doi.org/10.1016/S0021-9673(01)85968-9
. [all data]
Wehrli and Kováts, 1959
Wehrli, A.; Kováts, E.,
Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer Verbindungen,
Helv. Chim. Acta, 1959, 7, 7, 2709-2736, https://doi.org/10.1002/hlca.19590420745
. [all data]
Rembold, Wallner, et al., 1989
Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F.,
Volatile components of chickpea (Cicer arietinum L.) seed,
J. Agric. Food Chem., 1989, 37, 3, 659-662, https://doi.org/10.1021/jf00087a018
. [all data]
Solina, Baumgartner, et al., 2005
Solina, M.; Baumgartner, P.; Johnson, R.L.; Whitfield, F.B.,
Volatile aroma components of soy protein isolate and acid-hydrolysed vegetable protein,
Food Chem., 2005, 90, 4, 861-873, https://doi.org/10.1016/j.foodchem.2004.06.005
. [all data]
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Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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