Benzene
- Formula: C6H6
- Molecular weight: 78.1118
- IUPAC Standard InChIKey: UHOVQNZJYSORNB-UHFFFAOYSA-N
- CAS Registry Number: 71-43-2
- 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. - Isotopologues:
- Other names: [6]Annulene; Benzol; Benzole; Coal naphtha; Cyclohexatriene; Phenyl hydride; Pyrobenzol; Pyrobenzole; Benzolene; Bicarburet of hydrogen; Carbon oil; Mineral naphtha; Motor benzol; Benzeen; Benzen; Benzin; Benzine; Benzolo; Fenzen; NCI-C55276; Phene; Rcra waste number U019; UN 1114; NSC 67315; 1,3,5-Cyclohexatriene
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Condensed phase thermochemistry data
Go To: Top, Reaction thermochemistry 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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
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 | 12. ± 0.2 | kcal/mol | Review | Roux, Temprado, et al., 2008 | There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB |
ΔfH°liquid | 11.70 ± 0.13 | kcal/mol | Ccb | Good and Smith, 1969 | ALS |
ΔfH°liquid | 11.72 ± 0.12 | kcal/mol | Ccb | Prosen, Gilmont, et al., 1945 | Hf by Prosen, Johnson, et al., 1946; ALS |
ΔfH°liquid | 11.0 | kcal/mol | Ccb | Landrieu, Baylocq, et al., 1929 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -781. ± 4. | kcal/mol | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 41.410 | cal/mol*K | N/A | Oliver, Eaton, et al., 1948 | DH |
S°liquid | 41.90 | cal/mol*K | N/A | Huffman, Parks, et al., 1930 | Extrapolation below 90 K, 47.49 J/mol*K.; DH |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 10.89 | cal/mol*K | N/A | Ahlberg, Blanchard, et al., 1937 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
32.431 | 298.15 | Grolier, Roux-Desgranges, et al., 1993 | DH |
32.48 | 298.5 | Czarnota, 1991 | p = 0.1 MPa. Cp values given for the pressure range 0.1 to 68.1 MPa.; DH |
32.414 | 298.15 | Lainez, Rodrigo, et al., 1989 | DH |
32.177 | 298.15 | Shiohama, Ogawa, et al., 1988 | DH |
32.445 | 298.15 | Grolier, Roux-Desgranges, et al., 1987 | DH |
32.173 | 293.15 | Kalali, Kohler, et al., 1987 | T = 293.15, 313.15 K.; DH |
32.4348 | 298.15 | Tanaka, 1987 | DH |
33.44 | 322.05 | Naziev, Bashirov, et al., 1986 | T = 322.05, 351.15 K. p = 0.1 MPa. Unsmoothed experimental datum given as 1.7915 kJ/kg*K.; DH |
32.84 | 303.15 | Reddy, 1986 | T = 303.15, 313.15 K.; DH |
32.519 | 298.15 | Ogawa and Murakami, 1985 | DH |
32.4374 | 298.15 | Tanaka, 1985 | DH |
32.562 | 298.15 | Gorbunova, Simonov, et al., 1983 | T = 283.78 to 348.47 K. Cp = 1.3943 - 5.857x10-4T + 5.89x10-6T2 kJ/kg*K. Cp value calculated from equation.; DH |
32.62 | 300. | Gorbunova, Grigoriev, et al., 1982 | T = 280 to 353 K. Data also given by equation.; DH |
32.43 | 298.15 | Grolier, Inglese, et al., 1982 | T = 298.15 K.; DH |
32.443 | 298.15 | Tanaka, 1982 | Temperatures 293.15, 298.15, 303.15 K.; DH |
32.409 | 298.15 | Wilhelm, Faradjzadeh, et al., 1982 | DH |
31.93 | 293.15 | Atalla, El-Sharkawy, et al., 1981 | DH |
32.481 | 298.15 | Vesely, Zabransky, et al., 1979 | DH |
32.412 | 298.15 | Grolier, Wilhelm, et al., 1978 | DH |
32.481 | 298.15 | Vesely, Svoboda, et al., 1977 | T = 298 to 318 K.; DH |
32.409 | 298.15 | Wilhelm, Grolier, et al., 1977 | DH |
32.447 | 298.15 | Fortier, Benson, et al., 1976 | DH |
32.4474 | 298.15 | Fortier and Benson, 1976 | DH |
32.43 | 298.15 | Rajagopal and Subrahmanyam, 1974 | T = 298.15 to 323.15 K.; DH |
32.10 | 298. | Deshpande and Bhatagadde, 1971 | T = 298 to 318 K.; DH |
32.48 | 298.15 | Hyder Khan and Subrahmanyam, 1971 | T = 298; 313 K.; DH |
32.48 | 298. | Subrahmanyam and Khan, 1969 | DH |
32.36 | 298. | Recko, 1968 | T = 24 to 40°C, equation only.; DH |
31.1 | 298. | Pacor, 1967 | DH |
32.17 | 293. | Rastorguev and Ganiev, 1967 | T = 293 to 353 K.; DH |
32.337 | 300. | Findenegg, Gruber, et al., 1965 | DH |
32.261 | 298. | Rabinovich and Nikolaev, 1962 | T = 10 to 35°C.; DH |
32.29 | 316. | Swietoslawski and Zielenkiewicz, 1960 | Mean value 21 to 66°C.; DH |
32.60 | 303. | Duff and Everett, 1956 | T = 303 to 353 K.; DH |
32.321 | 298. | Staveley, Tupman, et al., 1955 | T = 288 to 347 K.; DH |
7.60 | 293. | Sieg, Crtzen, et al., 1951 | DH |
32.519 | 298.15 | Oliver, Eaton, et al., 1948 | T = 13 to 337 K.; DH |
28.4 | 295. | Tschamler, 1948 | DH |
31.91 | 298. | Kurbatov, 1947 | T = 9 to 80°C, mean Cp, five temperatures.; DH |
32.50 | 298.1 | Zhdanov, 1941 | T = 8 to 46°C.; DH |
32.371 | 298.2 | Burlew, 1940 | T = 281 to 353 K.; DH |
31.41 | 287.8 | Kolosovskii and Udovenko, 1934 | DH |
31.41 | 287.8 | de Kolossowsky and Udowenko, 1933 | DH |
31.41 | 298.15 | Ferguson and Miller, 1933 | T = 293 to 323 K. Data calculated from equation.; DH |
32.29 | 298.1 | Richards and Wallace, 1932 | T = 293 to 333 K.; DH |
34.314 | 323.15 | Fiock, Ginnings, et al., 1931 | T = 50 to 110°C.; DH |
32.29 | 300.0 | Huffman, Parks, et al., 1930 | T = 93 to 300 K. Value is unsmoothed experimental datum.; DH |
31.60 | 298. | Andrews, Lynn, et al., 1926 | T = -18 to 110°C.; DH |
31.81 | 293.2 | Williams and Daniels, 1925 | T = 20 to 60°C.; DH |
32.00 | 303. | Willams and Daniels, 1924 | T = 303 to 333 K. Equation only.; DH |
32.79 | 298. | Dejardin, 1919 | T = 24 to 50°C.; DH |
31.91 | 298. | von Reis, 1881 | T = 292 to 364 K.; DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.44 | 90. | Ahlberg, Blanchard, et al., 1937 | T = 4 to 93 K.; DH |
23.4 | 223.9 | Aoyama and Kanda, 1935 | T = 82 to 224 K. Value is unsmoothed experimental datum.; DH |
28.30 | 273. | Maass and Walbauer, 1925 | T = 93 to 273 K.; DH |
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Reactions 1 to 50
By formula: Cl- + C6H6 = (Cl- • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.00 ± 0.46 | kcal/mol | N/A | Tschurl, Ueberfluss, et al., 2007 | gas phase; B |
ΔrH° | 9.4 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 9.90 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrH° | 8.7 | kcal/mol | PHPMS | Paul and Kebarle, 1991 | gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M |
ΔrH° | 10.4 | kcal/mol | PHPMS | Sunner, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 17. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M |
ΔrS° | 17.1 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
ΔrS° | 22. | cal/mol*K | N/A | Sunner, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.0 ± 2.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 3.8 ± 1.6 | kcal/mol | IMRE | Chowdhury and Kebarle, 1986 | gas phase; B |
ΔrG° | 4.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
ΔrG° | 3.80 | kcal/mol | IMRE | French, Ikuta, et al., 1982 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.6 | 300. | PHPMS | Paul and Kebarle, 1991 | gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M |
3.8 | 300. | PHPMS | Chowdhury and Kebarle, 1986 | gas phase; M |
3.8 | 300. | PHPMS | Sunner, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
C6H5- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 401.22 ± 0.50 | kcal/mol | G+TS | Davico, Bierbaum, et al., 1995 | gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale; B |
ΔrH° | 401.16 ± 0.21 | kcal/mol | D-EA | Gunion, Gilles, et al., 1992 | gas phase; B |
ΔrH° | 400.7 ± 2.5 | kcal/mol | TDEq | Meot-ner and Sieck, 1986 | gas phase; B |
ΔrH° | 401. ± 10. | kcal/mol | CIDT | Graul and Squires, 1990 | gas phase; B |
ΔrH° | 398.0 ± 5.6 | kcal/mol | G+TS | Bohme and Young, 1971 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 392.40 ± 0.40 | kcal/mol | IMRE | Davico, Bierbaum, et al., 1995 | gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale; B |
ΔrG° | 390.9 ± 2.0 | kcal/mol | TDEq | Meot-ner and Sieck, 1986 | gas phase; B |
ΔrG° | 390.1 ± 6.5 | kcal/mol | IMRB | Bartmess and McIver Jr., 1979 | gas phase; B |
ΔrG° | 389.2 ± 5.5 | kcal/mol | IMRB | Bohme and Young, 1971 | gas phase; B |
By formula: C6H6+ + C6H6 = (C6H6+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 8. | kcal/mol | AVG | N/A | Average of 7 out of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.8 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1991 | gas phase; M |
ΔrS° | 27. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
ΔrS° | 23. | cal/mol*K | HPMS | Field, Hamlet, et al., 1969 | gas phase; M |
By formula: Li+ + C6H6 = (Li+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38.5 ± 3.2 | kcal/mol | CIDT | Amicangelo and Armentrout, 2000 | RCD |
ΔrH° | 37.9 | kcal/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M |
ΔrH° | 36.5 | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.5 | cal/mol*K | N/A | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 29.7 | kcal/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M |
By formula: Br- + C6H6 = (Br- • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.0 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 17. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.5 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; B |
ΔrG° | 3.9 ± 2.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
0.0 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: (Na+ • C6H6) + C6H6 = (Na+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20. ± 1. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
By formula: Na+ + C6H6 = (Na+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.8 ± 1.4 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 21.1 ± 1.2 | kcal/mol | CIDT | Amicangelo and Armentrout, 2000 | RCD |
ΔrH° | 21.1 ± 1.1 | kcal/mol | CIDT | Armentrout and Rodgers, 2000 | RCD |
ΔrH° | 28.0 | kcal/mol | HPMS | Guo, Purnell, et al., 1990 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.2 | cal/mol*K | HPMS | Guo, Purnell, et al., 1990 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15.7 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
By formula: C9H13N+ + C6H6 = (C9H13N+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | kcal/mol | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. | cal/mol*K | N/A | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.6 | 331. | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
By formula: C7H9N+ + C6H6 = (C7H9N+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 | kcal/mol | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. | cal/mol*K | N/A | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
By formula: C8H11N+ + C6H6 = (C8H11N+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.0 | kcal/mol | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. | cal/mol*K | N/A | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.2 | kcal/mol | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
By formula: C10H10Fe+ + C6H6 = (C10H10Fe+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8. | kcal/mol | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.0 | 252. | PHPMS | Meot-Ner (Mautner), 1989 | gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M |
By formula: (Co+ • C6H6) + C6H6 = (Co+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.9 ± 3.3 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.8 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(490 K); M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
39.9 (+3.2,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M | |
27.0 (+1.0,-0.) | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(490 K); M |
By formula: C7H8+ + C6H6 = (C7H8+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | MPI | Ernstberger, Krause, et al., 1990 | gas phase; M |
ΔrH° | 5.5 | kcal/mol | PI | Ruhl, Bisling, et al., 1986 | gas phase; from vIP of perpendicular dimer; M |
ΔrH° | 12.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
By formula: C2H7O+ + C6H6 = (C2H7O+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21. | kcal/mol | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.7 | 491. | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
By formula: (K+ • C6H6 • H2O) + C6H6 = (K+ • 2C6H6 • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.4 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.1 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M |
By formula: (K+ • 2H2O • C6H6) + H2O = (K+ • 3H2O • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.3 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M |
By formula: (K+ • H2O • C6H6) + H2O = (K+ • 2H2O • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.7 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.4 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M |
By formula: I- + C6H6 = (I- • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.1 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 9.1 ± 1.0 | kcal/mol | TDAs | Caldwell, Masucci, et al., 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 14.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.8 ± 2.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: C3H3+ + C6H6 = (C3H3+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.0 | kcal/mol | HPMS | Field, Hamlet, et al., 1969 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 9. | cal/mol*K | HPMS | Field, Hamlet, et al., 1969 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6. | kcal/mol | HPMS | Field, Hamlet, et al., 1969 | gas phase; Entropy change is questionable; M |
By formula: (K+ • H2O • 2C6H6) + H2O = (K+ • 2H2O • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.4 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M |
By formula: (C6H6+ • 2C6H6) + C6H6 = (C6H6+ • 3C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.0 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Hiraoka, Fujimaki, et al., 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: (K+ • C6H6 • 2H2O) + C6H6 = (K+ • 2C6H6 • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.8 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.7 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M |
By formula: Cr+ + C6H6 = (Cr+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40.2 | kcal/mol | MID | Lin, Chen, et al., 1997 | RCD |
ΔrH° | 39.2 ± 3.3 | kcal/mol | RAK | Lin and Dunbar, 1997 | RCD |
ΔrH° | 40.6 ± 2.4 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
40.6 (+2.3,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (K+ • 2C6H6) + H2O = (K+ • H2O • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.7 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.1 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M |
By formula: (K+ • C6H6) + H2O = (K+ • H2O • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.1 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.9 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M |
By formula: (K+ • 2H2O) + C6H6 = (K+ • C6H6 • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.4 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.3 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M |
By formula: (K+ • 3H2O) + C6H6 = (K+ • C6H6 • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.6 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.6 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M |
By formula: (K+ • H2O) + C6H6 = (K+ • C6H6 • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.8 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.1 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M |
By formula: (Cr+ • C6H6) + C6H6 = (Cr+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.7 ± 9.1 | kcal/mol | RAK | Lin and Dunbar, 1997 | RCD |
ΔrH° | 55.4 ± 4.3 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
55.3 (+4.4,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: F- + C6H6 = (F- • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.5 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: Mn+ + C6H6 = (Mn+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34.4 | kcal/mol | MID | Lin, Chen, et al., 1997 | RCD |
ΔrH° | 31.8 ± 2.2 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
31.8 (+2.1,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: V+ + C6H6 = (V+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >55. | kcal/mol | RAK | Gapeev and Dunbar, 2002 | RCD |
ΔrH° | 55.9 ± 2.4 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
55.8 (+2.3,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: Fe+ + C6H6 = (Fe+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.1 | kcal/mol | RAK | Gapeev and Dunbar, 2002 | RCD |
ΔrH° | 49.5 ± 2.9 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
49.6 (+2.3,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: Ti+ + C6H6 = (Ti+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.9 | kcal/mol | RAK | Gapeev and Dunbar, 2002 | RCD |
ΔrH° | 61.9 ± 2.2 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
61.8 (+2.1,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (K+ • C6H6) + C6H6 = (K+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.1 ± 1.7 | kcal/mol | CIDT | Amicangelo and Armentrout, 2000 | RCD |
ΔrH° | 18.8 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.9 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; M |
By formula: C4H9+ + C6H6 = (C4H9+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22. | kcal/mol | PHPMS | Sen Sharma, Ikuta, et al., 1982 | gas phase; forms protonated t-butylbenzene; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 49. | cal/mol*K | PHPMS | Sen Sharma, Ikuta, et al., 1982 | gas phase; forms protonated t-butylbenzene; M |
By formula: (C6H6+ • C6H6) + C6H6 = (C6H6+ • 2C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.8 ± 0.5 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.8 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1991 | gas phase; M |
By formula: K+ + C6H6 = (K+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.5 ± 0.9 | kcal/mol | CIDT | Amicangelo and Armentrout, 2000 | RCD |
ΔrH° | 19.2 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.6 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; M |
By formula: C6H7N+ + C6H6 = (C6H7N+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.9 | kcal/mol | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; M |
By formula: C11H10+ + C6H6 = (C11H10+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.0 | kcal/mol | PHPMS | El-Shall and Meot-Ner (Mautner), 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.0 | cal/mol*K | PHPMS | El-Shall and Meot-Ner (Mautner), 1987 | gas phase; M |
By formula: C6H5Cl+ + C6H6 = (C6H5Cl+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
By formula: C9H12+ + C6H6 = (C9H12+ • C6H6)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
By formula: NO- + C6H6 = (NO- • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.1 | kcal/mol | ICR | Reents and Freiser, 1981 | gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M |
By formula: (Fe+ • C6H6) + C6H6 = (Fe+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.7 ± 3.8 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
44.7 (+3.9,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (Ti+ • C6H6) + C6H6 = (Ti+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.5 ± 4.3 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
60.4 (+4.4,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (Mn+ • C6H6) + C6H6 = (Mn+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48.5 ± 3.8 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
48.4 (+3.9,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • C6H6) + C6H6 = (Ni+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35.1 ± 2.9 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
35.1 (+2.8,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
By formula: (Cu+ • C6H6) + C6H6 = (Cu+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.0 ± 2.9 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
37.1 (+2.8,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
(CAS Reg. No. 79431-04-2 • 4294967295) +
= CAS Reg. No. 79431-04-2
By formula: (CAS Reg. No. 79431-04-2 • 4294967295C6H6) + C6H6 = CAS Reg. No. 79431-04-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.5 ± 4.2 | kcal/mol | Ther | Lee and Squires, 1986 | gas phase; Between SiH4, tBuOH; value altered from reference due to change in acidity scale; B |
By formula: Ni+ + C6H6 = (Ni+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 58.1 ± 2.6 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
58.1 (+2.5,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
Henry's Law data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry 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: 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 |
---|---|---|---|---|
0.18 | M | N/A | missing citation also measured solubilities in salt solutions. | |
0.16 | 4100. | L | N/A | |
0.21 | 3600. | M | N/A | |
0.21 | M | N/A | ||
0.18 | X | N/A | Value given here as cited in missing citation. | |
0.17 | M | N/A | ||
0.19 | 3800. | M | N/A | |
0.17 | 3900. | X | N/A | |
0.18 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.16 | 4300. | X | N/A | |
0.18 | 3200. | X | N/A | |
0.18 | 2200. | X | N/A | |
0.18 | 4000. | X | Leighton and Calo, 1981 | |
0.18 | L | N/A | ||
0.12 | 5300. | X | N/A | |
0.19 | 4300. | X | N/A | |
0.18 | M | Mackay, Shiu, et al., 1979 | ||
0.18 | T | Mackay, Shiu, et al., 1979 | ||
0.18 | V | N/A | ||
0.18 | M | N/A | ||
0.22 | 4200. | M | N/A | |
0.16 | 4500. | M | N/A | |
0.18 | V | Bohon and Claussen, 1951 |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Notes
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- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid S°liquid Entropy of liquid at standard conditions S°solid,1 bar Entropy of solid at standard conditions (1 bar) T 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°liquid Enthalpy of formation of liquid at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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