Benzene, chloro-
- Formula: C6H5Cl
- Molecular weight: 112.557
- IUPAC Standard InChIKey: MVPPADPHJFYWMZ-UHFFFAOYSA-N
- CAS Registry Number: 108-90-7
- 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: Chlorobenzene; Monochlorobenzene; MCB; Phenyl Chloride; Benzene chloride; Chlorbenzene; Chlorobenzol; Monochlorbenzene; Chloorbenzeen; Chlorbenzol; Chlorobenzen; Chlorobenzene, mono-; Clorobenzene; Monochloorbenzeen; Monochlorbenzol; Monoclorobenzene; NCI-C54886; Chlorobenzenu; UN 1134; Abluton T30; CP 27; IP Carrier T 40; NSC 8433; Tetrosin SP
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 54.42 | kJ/mol | Ccr | Platonov and Simulin, 1985 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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 | 11.5 ± 1.0 | kJ/mol | Ccr | Kolesov, Tomareva, et al., 1967 | Reanalyzed by Cox and Pilcher, 1970, Original value = 11.8 kJ/mol; ALS |
ΔfH°liquid | 10.7 ± 0.79 | kJ/mol | Ccb | Hubbard, Knowlton, et al., 1954 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -3112.7 ± 0.9 | kJ/mol | Ccr | Platonov and Simulin, 1985 | ALS |
ΔcH°liquid | -3110.7 ± 1.0 | kJ/mol | Ccr | Kolesov, Tomareva, et al., 1967 | ALS |
ΔcH°liquid | -3108.9 ± 0.79 | kJ/mol | Ccb | Hubbard, Knowlton, et al., 1954 | ALS |
ΔcH°liquid | -3111.6 ± 8.4 | kJ/mol | Ccb | Smith, Bjellerup, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -3107.2 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 197.5 | J/mol*K | N/A | Stull, 1937 | Extrapolation below 91 K, 44.02 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
152.1 | 298.15 | Shehatta, 1993 | DH |
153.78 | 298.15 | Perez-Casas, Aicart, et al., 1988 | DH |
150.6 | 303.15 | Reddy, 1986 | T = 303.15, 313.15 K.; DH |
150.787 | 298.15 | Fortier and Benson, 1977 | DH |
147.7 | 298. | Deshpande and Bhatagadde, 1971 | T = 298 to 318 K.; DH |
157.3 | 305.6 | Phillip, 1939 | DH |
150.08 | 298.1 | Stull, 1937 | T = 90 to 320 K.; DH |
145.6 | 293.2 | Williams and Daniels, 1925 | T = 20 to 80°C.; DH |
141.0 | 298. | von Reis, 1881 | T = 294 to 425 K.; DH |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
106.3 | 216.8 | Andrews and Haworth, 1928 | T = 101 to 217 K. Value is unsmoothed experimental datum.; DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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
By formula: Cl- + C6H5Cl = (Cl- • C6H5Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.21 ± 0.42 | kJ/mol | TDAs | Sieck, 1985 | gas phase; B,M |
ΔrH° | 56.9 ± 4.2 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,B,M |
ΔrH° | 52.7 | kJ/mol | PHPMS | Paul and Kebarle, 1991 | gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M |
ΔrS° | 69.0 | J/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
ΔrS° | 93.7 | J/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 29.7 ± 0.84 | kJ/mol | TDAs | Sieck, 1985 | gas phase; B |
ΔrG° | 29. ± 4.2 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,B,M |
ΔrG° | 27.2 | kJ/mol | TDEq | French, Ikuta, et al., 1982 | gas phase; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
28. | 300. | PHPMS | Paul and Kebarle, 1991 | gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M |
27. | 300. | PHPMS | French, Ikuta, et al., 1982 | gas phase; M |
C6H4Cl- + =
By formula: C6H4Cl- + H+ = C6H5Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1636. ± 7.9 | kJ/mol | Bran | Wenthold and Squires, 1995 | gas phase; B |
ΔrH° | 1633. ± 8.8 | kJ/mol | G+TS | Wenthold and Squires, 1994 | gas phase; between furan, pyridine; B |
ΔrH° | 1633. ± 8.8 | kJ/mol | G+TS | Wenthold, Paulino, et al., 1991 | gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1602. ± 8.4 | kJ/mol | H-TS | Wenthold and Squires, 1995 | gas phase; B |
ΔrG° | 1598. ± 8.4 | kJ/mol | IMRB | Wenthold and Squires, 1994 | gas phase; between furan, pyridine; B |
ΔrG° | 1598. ± 8.4 | kJ/mol | IMRB | Wenthold, Paulino, et al., 1991 | gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring.; B |
C6H4Cl- + =
By formula: C6H4Cl- + H+ = C6H5Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1650. ± 5.4 | kJ/mol | Bran | Wenthold and Squires, 1995 | gas phase; B |
ΔrH° | 1631. ± 8.8 | kJ/mol | G+TS | Wenthold and Squires, 1994 | gas phase; between furan, pyridine; B |
ΔrH° | 1631. ± 8.8 | kJ/mol | G+TS | Wenthold, Paulino, et al., 1991 | gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1618. ± 5.9 | kJ/mol | H-TS | Wenthold and Squires, 1995 | gas phase; B |
ΔrG° | 1598. ± 8.4 | kJ/mol | IMRB | Wenthold and Squires, 1994 | gas phase; between furan, pyridine; B |
ΔrG° | 1598. ± 8.4 | kJ/mol | IMRB | Wenthold, Paulino, et al., 1991 | gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring.; B |
C6H4Cl- + =
By formula: C6H4Cl- + H+ = C6H5Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1618. ± 8.8 | kJ/mol | G+TS | Andrade and Riveros, 1996 | gas phase; B |
ΔrH° | 1624. ± 8.4 | kJ/mol | Bran | Wenthold and Squires, 1995 | gas phase; B |
ΔrH° | 1622. ± 13. | kJ/mol | G+TS | Wenthold, Paulino, et al., 1991 | gas phase; Between PhF, furan; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1584. ± 8.4 | kJ/mol | IMRE | Andrade and Riveros, 1996 | gas phase; B |
ΔrG° | 1590. ± 8.8 | kJ/mol | H-TS | Wenthold and Squires, 1995 | gas phase; B |
ΔrG° | 1588. ± 13. | kJ/mol | IMRB | Wenthold, Paulino, et al., 1991 | gas phase; Between PhF, furan; B |
ΔrG° | 1586. ± 21. | kJ/mol | IMRB | Bartmess and McIver Jr., 1979 | gas phase; Between H2O, MeOH; B |
By formula: Br- + C6H5Cl = (Br- • C6H5Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.4 ± 7.5 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11. ± 4.2 | kJ/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
11. | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: C6H7N+ + C6H5Cl = (C6H7N+ • C6H5Cl)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.0 | 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 |
---|---|---|---|---|
17. | 297. | PHPMS | Meot-Ner (Mautner) and El-Shall, 1986 | gas phase; Entropy change calculated or estimated; M |
By formula: C9H12+ + C6H5Cl = (C9H12+ • C6H5Cl)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.7 | kJ/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | N/A | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12. | 300. | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; Entropy change calculated or estimated; M |
By formula: NO- + C6H5Cl = (NO- • C6H5Cl)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 161. | kJ/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: C6H5Cl + C12H17Cl = C9H11Cl + C9H11Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.84 ± 0.42 | kJ/mol | Eqk | Nesterova, Rozhnov, et al., 1985 | liquid phase; ALS |
By formula: C6H5Cl + C14H21Cl = C10H13Cl + C10H13Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.25 ± 0.71 | kJ/mol | Eqk | Kovzel, Nesterova, et al., 1981 | liquid phase; ALS |
By formula: C9H11Cl + C6H6 = C6H5Cl + C9H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.59 ± 0.42 | kJ/mol | Eqk | Nesterova, Rozhnov, et al., 1985 | liquid phase; ALS |
By formula: C6H5Cl + C14H21Cl = 2C10H13Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0. ± 0.1 | kJ/mol | Eqk | Kovzel, Nesterova, et al., 1981 | liquid phase; ALS |
By formula: C6H6 + Cl2 = C6H5Cl + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -134. | kJ/mol | Cm | Kirkbride, 1956 | liquid phase; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, 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
LL - Sharon G. Lias and Joel F. Liebman
View reactions leading to C6H5Cl+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.07 ± 0.02 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 753.1 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 724.6 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C4H4+ | 17.6 ± 0.1 | ? | EI | Momigny, 1959 | RDSH |
C6H4+ | 14.9 ± 0.2 | HCl | EI | Momigny, 1959 | RDSH |
C6H5+ | 11.81 | Cl | DER | Ripoche, Dimicoli, et al., 1991 | LL |
C6H5+ | 12.88 ± 0.05 | Cl | EI | Burgers and Holmes, 1984 | LBLHLM |
C6H5+ | 13.1 ± 0.1 | Cl | EI | Burgers and Holmes, 1984 | LBLHLM |
C6H5+ | 12.25 ± 0.04 | Cl | PIPECO | Rosenstock, Stockbauer, et al., 1980 | LLK |
C6H5+ | 12.47 ± 0.06 | Cl | PI | Rosenstock, Stockbauer, et al., 1979 | LLK |
C6H5+ | 13.06 | Cl | PIPECO | Baer, Tsai, et al., 1976 | LLK |
C6H5+ | 12.81 | Cl | EI | Johnstone and Mellon, 1972 | LLK |
C6H5+ | 12.55 ± 0.07 | Cl | PI | Sergeev, Akopyan, et al., 1970 | RDSH |
C6H5+ | 13.2 ± 0.1 | Cl | EI | Majer and Patrick, 1962 | RDSH |
De-protonation reactions
C6H4Cl- + =
By formula: C6H4Cl- + H+ = C6H5Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1636. ± 7.9 | kJ/mol | Bran | Wenthold and Squires, 1995 | gas phase; B |
ΔrH° | 1633. ± 8.8 | kJ/mol | G+TS | Wenthold and Squires, 1994 | gas phase; between furan, pyridine; B |
ΔrH° | 1633. ± 8.8 | kJ/mol | G+TS | Wenthold, Paulino, et al., 1991 | gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1602. ± 8.4 | kJ/mol | H-TS | Wenthold and Squires, 1995 | gas phase; B |
ΔrG° | 1598. ± 8.4 | kJ/mol | IMRB | Wenthold and Squires, 1994 | gas phase; between furan, pyridine; B |
ΔrG° | 1598. ± 8.4 | kJ/mol | IMRB | Wenthold, Paulino, et al., 1991 | gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring.; B |
C6H4Cl- + =
By formula: C6H4Cl- + H+ = C6H5Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1650. ± 5.4 | kJ/mol | Bran | Wenthold and Squires, 1995 | gas phase; B |
ΔrH° | 1631. ± 8.8 | kJ/mol | G+TS | Wenthold and Squires, 1994 | gas phase; between furan, pyridine; B |
ΔrH° | 1631. ± 8.8 | kJ/mol | G+TS | Wenthold, Paulino, et al., 1991 | gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1618. ± 5.9 | kJ/mol | H-TS | Wenthold and Squires, 1995 | gas phase; B |
ΔrG° | 1598. ± 8.4 | kJ/mol | IMRB | Wenthold and Squires, 1994 | gas phase; between furan, pyridine; B |
ΔrG° | 1598. ± 8.4 | kJ/mol | IMRB | Wenthold, Paulino, et al., 1991 | gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring.; B |
C6H4Cl- + =
By formula: C6H4Cl- + H+ = C6H5Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1618. ± 8.8 | kJ/mol | G+TS | Andrade and Riveros, 1996 | gas phase; B |
ΔrH° | 1624. ± 8.4 | kJ/mol | Bran | Wenthold and Squires, 1995 | gas phase; B |
ΔrH° | 1622. ± 13. | kJ/mol | G+TS | Wenthold, Paulino, et al., 1991 | gas phase; Between PhF, furan; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1584. ± 8.4 | kJ/mol | IMRE | Andrade and Riveros, 1996 | gas phase; B |
ΔrG° | 1590. ± 8.8 | kJ/mol | H-TS | Wenthold and Squires, 1995 | gas phase; B |
ΔrG° | 1588. ± 13. | kJ/mol | IMRB | Wenthold, Paulino, et al., 1991 | gas phase; Between PhF, furan; B |
ΔrG° | 1586. ± 21. | kJ/mol | IMRB | Bartmess and McIver Jr., 1979 | gas phase; Between H2O, MeOH; B |
References
Go To: Top, Gas phase thermochemistry data, 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.
Platonov and Simulin, 1985
Platonov, V.A.; Simulin, Yu.N.,
Determination of the standard enthalpies of formation of polychlorobenzenes. III. The standard enthalpies of formation of mono-1,2,4- and 1,3,5-tri-, and 1,2,3,4- and 1,2,3,5-tetrachlorobenzenes,
Russ. J. Phys. Chem. (Engl. Transl.), 1985, 59, 179-181. [all data]
Kolesov, Tomareva, et al., 1967
Kolesov, V.P.; Tomareva, E.M.; Skuratov, S.M.; Alekhin, S.P.,
Calorimeter having a rotating bomb for determining heats of combustion of chlorinated organic compounds,
Russ. J. Phys. Chem. (Engl. Transl.), 1967, 41, 817-820. [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]
Hubbard, Knowlton, et al., 1954
Hubbard, W.N.; Knowlton, J.W.; Huffman, H.M.,
Combustion calorimetry of organic chlorine compounds. Heats of combustion of chlorobenzene, the dichlorobenzenes and o- and p-chloroethylbenzene,
J. Phys. Chem., 1954, 58, 396. [all data]
Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H.,
Heats of combustion of organic chloro compounds determined by the "quartz wool" method,
Acta Chem. Scand., 1953, 7, 65. [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]
Shehatta, 1993
Shehatta, I.,
Heat capacity at constant pressure of some halogen compounds,
Thermochim. Acta, 1993, 213, 1-10. [all data]
Perez-Casas, Aicart, et al., 1988
Perez-Casas, S.; Aicart, E.; Trojo, L.M.; Costas, M.,
Excess heat capacity. Chlorobenzene-2,2,4,4,6,8,8-heptamethylnonane, Int. Data Ser.,
Sel. Data Mixtures, 1988, (2)A, 123. [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]
Fortier and Benson, 1977
Fortier, J.-L.; Benson, G.C.,
Excess heat capacities of binary mixtures of tetrachloromethane witlh some aromatic liquids at 298.15 K,
J. Chem. Thermodynam., 1977, 9, 1181-1188. [all data]
Deshpande and Bhatagadde, 1971
Deshpande, D.D.; Bhatagadde, L.G.,
Heat capacities at constant volume, free volumes, and rotational freedom in some liquids,
Aust. J. Chem., 1971, 24, 1817-1822. [all data]
Phillip, 1939
Phillip, N.M.,
Adiabatic and isothermal compressibilities of liquids,
Proc. Indian Acad. Sci., 1939, A9, 109-120. [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]
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]
Sieck, 1985
Sieck, L.W.,
Thermochemistry of Solvation of NO2- and C6H5NO2- by Polar Molecules in the Vapor Phase. Comparison with Cl- and Variation with Ligand Structure.,
J. Phys. Chem., 1985, 89, 25, 5552, https://doi.org/10.1021/j100271a049
. [all data]
Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B.,
Gas phase negative ion chemistry of alkylchloroformates,
Can. J. Chem., 1984, 62, 675. [all data]
Paul and Kebarle, 1991
Paul, G.J.C.; Kebarle, P.,
Stabilities of Complexes of Br- with Substituted Benzenes (SB) Based on Determinations of the Gas-Phase Equilibria Br- + SB = (BrSB)-,
J. Am. Chem. Soc., 1991, 113, 4, 1148, https://doi.org/10.1021/ja00004a014
. [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]
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]
Wenthold and Squires, 1994
Wenthold, P.G.; Squires, R.R.,
Gas-phase properties and reactivity of the acetate radical anion. Determination of the C-H bond strengths in acetic acid and acetate ion,
J. Am. Chem. Soc., 1994, 116, 26, 11890, https://doi.org/10.1021/ja00105a032
. [all data]
Wenthold, Paulino, et al., 1991
Wenthold, P.G.; Paulino, J.A.; Squires, R.R.,
The Absolute Heats of Formation of ortho-Benzyne, meta-Benzyne, and para-Benzyne,
J. Am. Chem. Soc., 1991, 113, 19, 7414, https://doi.org/10.1021/ja00019a044
. [all data]
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Notes
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- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid 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°gas Enthalpy of formation of gas 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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