Benzene, bromo-
- Formula: C6H5Br
- Molecular weight: 157.008
- IUPAC Standard InChIKey: QARVLSVVCXYDNA-UHFFFAOYSA-N
- CAS Registry Number: 108-86-1
- 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: Bromobenzene; Monobromobenzene; Phenyl bromide; 1-Bromobenzene; NCI-C55492; UN 2514
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Condensed phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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:
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 | 58.6 | kJ/mol | Cm | Holm, 1973 | Grignard Rx; ALS |
ΔfH°liquid | 60.9 ± 4.1 | kJ/mol | Cm | Chernick, Skinner, et al., 1956 | Reanalyzed by Cox and Pilcher, 1970, Original value = 59.0 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -3111.9 ± 0.67 | kJ/mol | Ccb | Smith and Bjellerup, 1947 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 21922. | J/mol*K | N/A | Masi and Scott, 1975 | DH |
S°liquid | 207.9 | J/mol*K | N/A | Stull, 1937 | Extrapolation below 91 K, 55.86 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
155.9 | 303.15 | Reddy, 1986 | T = 303.15, 313.15 K.; DH |
154.29 | 298.15 | Masi and Scott, 1975 | T = 11 to 300 K.; DH |
155.39 | 298.1 | Stull, 1937 | T = 90 to 320 K.; DH |
145.6 | 302.6 | de Kolossowsky and Udowenko, 1934 | DH |
145.6 | 302.6 | Kolosovskii and Udovenko, 1934 | DH |
127.6 | 231.7 | Andrews and Haworth, 1928 | T = 101 to 232 K. Value is unsmoothed experimental datum.; DH |
151.5 | 293.2 | Williams and Daniels, 1925 | T = 20 to 80°C.; DH |
151.0 | 298. | von Reis, 1881 | T = 291 to 444 K.; DH |
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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.
Individual Reactions
C6H4Br- + =
By formula: C6H4Br- + H+ = C6H5Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1620. ± 10. | kJ/mol | Bran | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes; B |
ΔrH° | 1607. ± 8.8 | kJ/mol | G+TS | Linnert and Riveros, 1994 | gas phase; Acidity between quinoline and benzonitrile; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1586. ± 11. | kJ/mol | H-TS | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes; B |
ΔrG° | 1572. ± 8.4 | kJ/mol | IMRB | Linnert and Riveros, 1994 | gas phase; Acidity between quinoline and benzonitrile; B |
By formula: C6H7N+ + C6H5Br = (C6H7N+ • C6H5Br)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.9 | kJ/mol | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | N/A | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
21. | 325. | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
C6H4Br- + =
By formula: C6H4Br- + H+ = C6H5Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1605. ± 8.8 | kJ/mol | Bran | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1570. ± 9.2 | kJ/mol | H-TS | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes; B |
C6H4Br- + =
By formula: C6H4Br- + H+ = C6H5Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1643. ± 8.4 | kJ/mol | Bran | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1611. ± 8.8 | kJ/mol | H-TS | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes; B |
+
= C8H9Br +
By formula: C8H10 + C6H5Br = C8H9Br + C6H6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.59 ± 0.021 | kJ/mol | Cm | Merdzhanov, Alenin, et al., 1982 | gas phase; Heat of isomerization at 349 K; ALS |
By formula: 2C6H5Br + Br2Hg = C12H10Hg + 2Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 328.6 ± 3.3 | kJ/mol | Cm | Chernick, Skinner, et al., 1956 | liquid phase; ALS |
By formula: Cl- + C6H5Br = (Cl- • C6H5Br)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 28.5 | kJ/mol | TDEq | French, Ikuta, et al., 1982 | gas phase; B,M |
Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C6H5Br+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.00 ± 0.03 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 754.1 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 725.8 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.00 | PE | Fujisawa, Ohno, et al., 1986 | LBLHLM |
8.998 | PE | Von Niessen, Asbrink, et al., 1982 | LBLHLM |
9.02 | PE | Kimura, Katsumata, et al., 1981 | LLK |
9.05 ± 0.02 | PE | Mohraz, Maier, et al., 1980 | LLK |
8.98 ± 0.02 | EQ | Lias and Ausloos, 1978 | LLK |
8.98 | PE | Behan, Johnstone, et al., 1976 | LLK |
9.45 | EI | Baldwin, Loudon, et al., 1976 | LLK |
8.97 ± 0.02 | PIPECO | Baer, Tsai, et al., 1976 | LLK |
8.99 | PE | Sergeev, Akopyan, et al., 1970 | RDSH |
9.03 ± 0.01 | PI | Sergeev, Akopyan, et al., 1970 | RDSH |
8.98 ± 0.03 | EI | Johnstone, Mellon, et al., 1970 | RDSH |
8.950 | PI | Momigny, Goffart, et al., 1968 | RDSH |
8.98 ± 0.02 | PI | Watanabe, 1957 | RDSH |
8.99 | PE | Klasinc, Kovac, et al., 1983 | Vertical value; LBLHLM |
9.041 | PE | Potts, Lyus, et al., 1980 | Vertical value; LLK |
9.05 | PE | Sell and Kupperman, 1978 | Vertical value; LLK |
8.99 ± 0.03 | PE | Cvitas and Klasinc, 1977 | Vertical value; LLK |
9.00 | PE | Streets and Ceasar, 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C4H4+ | 16.8 ± 0.1 | ? | EI | Momigny, 1959 | RDSH |
C6H4+ | 14.2 ± 0.2 | HBr | EI | Momigny, 1959 | RDSH |
C6H5+ | 11.74 ± 0.07 | Br | PI | Malinovich, Arakawa, et al., 1985 | LBLHLM |
C6H5+ | 11.79 ± 0.09 | Br | PI | Dunbar and Honovich, 1984 | LBLHLM |
C6H5+ | 12.04 ± 0.05 | Br | EI | Burgers and Holmes, 1984 | LBLHLM |
C6H5+ | 12.2 ± 0.1 | Br | EI | Burgers and Holmes, 1982 | LBLHLM |
C6H5+ | 11.7 ± 0.4 | Br | PIPECO | Rosenstock, Stockbauer, et al., 1980 | LLK |
C6H5+ | 12.10 | Br | PIPECO | Baer, Tsai, et al., 1976 | LLK |
C6H5+ | 11.82 | Br | EI | Johnstone and Mellon, 1972 | LLK |
C6H5+ | 11.75 ± 0.05 | Br | PI | Sergeev, Akopyan, et al., 1970 | RDSH |
C6H5+ | 12.02 | Br | EI | Howe and Williams, 1969 | RDSH |
De-protonation reactions
C6H4Br- + =
By formula: C6H4Br- + H+ = C6H5Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1620. ± 10. | kJ/mol | Bran | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes; B |
ΔrH° | 1607. ± 8.8 | kJ/mol | G+TS | Linnert and Riveros, 1994 | gas phase; Acidity between quinoline and benzonitrile; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1586. ± 11. | kJ/mol | H-TS | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes; B |
ΔrG° | 1572. ± 8.4 | kJ/mol | IMRB | Linnert and Riveros, 1994 | gas phase; Acidity between quinoline and benzonitrile; B |
C6H4Br- + =
By formula: C6H4Br- + H+ = C6H5Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1605. ± 8.8 | kJ/mol | Bran | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1570. ± 9.2 | kJ/mol | H-TS | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes; B |
C6H4Br- + =
By formula: C6H4Br- + H+ = C6H5Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1643. ± 8.4 | kJ/mol | Bran | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1611. ± 8.8 | kJ/mol | H-TS | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes; B |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Holm, 1973
Holm, T.,
Thermochemistry of Grignard reagents. Enthalpies of formation of alkylmagnesium bromides and of alkyl bromides,
J. Organomet. Chem., 1973, 56, 87-93. [all data]
Chernick, Skinner, et al., 1956
Chernick, C.L.; Skinner, H.A.; Wadso, I.,
Thermochemistry of metallic alkyls. Part 7.-The heat of formation of mercury diphenyl, and of mercury phenyl chloride,
Trans. Faraday Soc., 1956, 52, 1088-1093. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Smith and Bjellerup, 1947
Smith, L.; Bjellerup, L.,
Neue Versuche mit beweglicher calorimetrischer Bombe,
Acta Chem. Scand., 1947, 1, 566-570. [all data]
Masi and Scott, 1975
Masi, J.F.; Scott, R.B.,
Some thermodynamic properties of bromobenzene from 0 to 1500K,
J. Res., 1975, NBS 79A, 619-628. [all data]
Stull, 1937
Stull, D.R.,
A semi-micro calorimeter for measuring heat capacities at low temperatures,
J. Am. Chem. Soc., 1937, 59, 2726-2733. [all data]
Reddy, 1986
Reddy, K.S.,
Isentropic compressibilities of binary liquid mixtures at 303.15 and 313.15 K,
J. Chem. Eng. Data, 1986, 31, 238-240. [all data]
de Kolossowsky and Udowenko, 1934
de Kolossowsky, N.; Udowenko, W.W.,
Determination des chaleurs specifiques des liquides,
Compt. rend., 1934, 198, 1394-1395. [all data]
Kolosovskii and Udovenko, 1934
Kolosovskii, N.A.; Udovenko, W.W.,
Specific heat of liquids. II.,
Zhur. Obshchei Khim., 1934, 4, 1027-1033. [all data]
Andrews and Haworth, 1928
Andrews, D.H.; Haworth, E.,
An application of the rule of Dulong and Petit to molecules,
J. Am. Chem. Soc., 1928, 50, 2998-3002. [all data]
Williams and Daniels, 1925
Williams, J.W.; Daniels, F.,
The specific heats of binary mixtures,
J. Am. Chem. Soc., 1925, 47, 1490-1503. [all data]
von Reis, 1881
von Reis, M.A.,
Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht,
Ann. Physik [3], 1881, 13, 447-464. [all data]
Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R.,
Determination of the gas-phase acidities of halogen-substituted aromatic compounds using the silane-cleavage method,
J. Mass Spectrom., 1995, 30, 1, 17, https://doi.org/10.1002/jms.1190300105
. [all data]
Linnert and Riveros, 1994
Linnert, H.V.; Riveros, J.M.,
Benzyne-related mechanisms in the gas phase ion molecule reactions of haloarenes,
Int. J. Mass Spectrom. Ion Proc., 1994, 140, 1, 163, https://doi.org/10.1016/0168-1176(94)04079-6
. [all data]
Meot-Ner (Mautner) and El-Shall, 1986
Meot-Ner (Mautner), M.; El-Shall, M.S.,
Ionic Charge Transfer Complexes. 1. Cationic Complexes with Delocalized and Partially Localized pi Systems,
J. Am. Chem. Soc., 1986, 108, 15, 4386, https://doi.org/10.1021/ja00275a026
. [all data]
Merdzhanov, Alenin, et al., 1982
Merdzhanov, V.R.; Alenin, V.I.; Nesterova, T.N.; Rozhnov, A.M.,
Study of equilibrium transformation of ethylbromobenzenes,
Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1982, 25, 1047-1049. [all data]
French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P.,
Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-,
Can. J. Chem., 1982, 60, 1907. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Fujisawa, Ohno, et al., 1986
Fujisawa, S.; Ohno, K.; Masuda, S.; Harada, Y.,
Penning ionization electron spectroscopy of monohalogenobenzenes: C6H5F, C6H5Cl, C6H5Br, and C6H5I,
J. Am. Chem. Soc., 1986, 108, 6505. [all data]
Von Niessen, Asbrink, et al., 1982
Von Niessen, W.; Asbrink, L.; Bieri, G.,
30.4 nm He(II) Photoelectron spectra of organic molecules. Part VI. Halogeno-compounds (C,H,X: X = Cl, Br, I),
J. Electron Spectrosc. Relat. Phenom., 1982, 26, 173. [all data]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Mohraz, Maier, et al., 1980
Mohraz, M.; Maier, J.P.; Heilbronner, E.,
He(I α) and He(Iα) photoelectron spectra of fluorinated chloro- and bromobenzenes,
J. Electron Spectrosc. Relat. Phenom., 1980, 19, 429. [all data]
Lias and Ausloos, 1978
Lias, S.G.; Ausloos, P.J.,
eIonization energies of organic compounds by equilibrium measurements,
J. Am. Chem. Soc., 1978, 100, 6027. [all data]
Behan, Johnstone, et al., 1976
Behan, J.M.; Johnstone, R.A.W.; Bentley, T.W.,
An evaluation of empirical methods for calculating the ionization potentials of substituted benzenes,
Org. Mass Spectrom., 1976, 11, 207. [all data]
Baldwin, Loudon, et al., 1976
Baldwin, M.A.; Loudon, A.G.; Maccoll, A.; Webb, K.S.,
The nature and fragmentation pathways of the molecular ions of some arylureas, arylthioureas, acetanilides, thioacetanilides and related compounds,
Org. Mass Spectrom., 1976, 11, 1181. [all data]
Baer, Tsai, et al., 1976
Baer, T.; Tsai, B.P.; Smith, D.; Murray, P.T.,
Absolute unimolecular decay rates of energy selected metastable halobenzene ions,
J. Chem. Phys., 1976, 64, 2460. [all data]
Sergeev, Akopyan, et al., 1970
Sergeev, Yu.L.; Akopyan, M.E.; Vilesov, F.I.; Kleimenov, V.I.,
Photoionization processes in phenyl halides,
Opt. i Spektroskopiya, 1970, 29, 119, In original 63. [all data]
Johnstone, Mellon, et al., 1970
Johnstone, R.A.W.; Mellon, F.A.; Ward, S.D.,
Online acquisition of ionization efficiency data,
Intern. J. Mass Spectrom. Ion Phys., 1970, 5, 241. [all data]
Momigny, Goffart, et al., 1968
Momigny, J.; Goffart, C.; D'Or, L.,
Photoionization studies by total ionization measurements. I. Benzene and its monohalogeno derivatives,
Intern. J. Mass Spectrom. Ion Phys., 1968, 1, 53. [all data]
Watanabe, 1957
Watanabe, K.,
Ionization potentials of some molecules,
J. Chem. Phys., 1957, 26, 542. [all data]
Klasinc, Kovac, et al., 1983
Klasinc, L.; Kovac, B.; Gusten, H.,
Photoelectron spectra of acenes. Electronic structure and substituent effects,
Pure Appl. Chem., 1983, 55, 289. [all data]
Potts, Lyus, et al., 1980
Potts, A.W.; Lyus, M.L.; Lee, E.P.F.; Fattahallah, G.H.,
High resolution ultraviolet photoelectron spectra of C6H5X and p-C6H4X2 where X = Cl, Br or I,
J. Chem. Soc. Faraday Trans. 2, 1980, 76, 556. [all data]
Sell and Kupperman, 1978
Sell, J.A.; Kupperman, A.,
Angular distributions in the photoelectron spectra of benzene and its monohalogenated derivatives,
Chem. Phys., 1978, 33, 367. [all data]
Cvitas and Klasinc, 1977
Cvitas, T.; Klasinc, L.,
Photoelectron spectra of bromobenzenes,
Croat. Chem. Acta., 1977, 50, 291. [all data]
Streets and Ceasar, 1973
Streets, D.G.; Ceasar, G.P.,
Inductive mesomeric effects on the π orbitals of halobenzenes,
Mol. Phys., 1973, 26, 1037. [all data]
Momigny, 1959
Momigny, J.,
Determination et discussion des potentials d'apparition d'ions fragmentaires dans le benzene et ses derives monohalogenes,
Bull. Soc. Roy. Sci. Liege, 1959, 28, 251. [all data]
Malinovich, Arakawa, et al., 1985
Malinovich, Y.; Arakawa, R.; Haase, G.; Lifshitz, C.,
Time-dependent mass spectra and breakdown graphs. VI. Slow unimolecular dissociation of bromobenzene ions at near threshold energies,
J. Phys. Chem., 1985, 89, 2253. [all data]
Dunbar and Honovich, 1984
Dunbar, R.C.; Honovich, J.P.,
Threshold ion photodissociation. Bromobenzene and iodobenzene ions,
Int. J. Mass Spectrom. Ion Processes, 1984, 58, 25. [all data]
Burgers and Holmes, 1984
Burgers, P.C.; Holmes, J.L.,
Fragmentation rate constants and appearance energies for reactions having a large kinetic shift and the energy partitioning in their metastable decomposition,
Int. J. Mass Spectrom. Ion Processes, 1984, 58, 15. [all data]
Burgers and Holmes, 1982
Burgers, P.C.; Holmes, J.L.,
Metastable ion studies. XIII. The measurement of appearance energies of metastable peaks,
Org. Mass Spectrom., 1982, 17, 123. [all data]
Rosenstock, Stockbauer, et al., 1980
Rosenstock, H.M.; Stockbauer, R.; Parr, A.C.,
Photoelectron-photoion coincidence study of the bromobenzene ion,
J. Chem. Phys., 1980, 73, 773. [all data]
Johnstone and Mellon, 1972
Johnstone, R.A.W.; Mellon, F.A.,
Electron-impact ionization and appearance potentials,
J. Chem. Soc. Faraday Trans. 2, 1972, 68, 1209. [all data]
Howe and Williams, 1969
Howe, I.; Williams, D.H.,
Calculation and qualitative predictions of mass spectra. Mono- and paradisubstituted benzenes,
J. Am. Chem. Soc., 1969, 91, 7137. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy S°liquid Entropy of liquid at standard conditions T Temperature 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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