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, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
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 |
---|---|---|---|---|---|
Tboil | 404.9 ± 0.6 | K | AVG | N/A | Average of 53 out of 55 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 228.0 ± 0.4 | K | AVG | N/A | Average of 19 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 227.9 | K | N/A | Stull, 1937, 2 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 632.35 | K | N/A | Young, 1910 | Uncertainty assigned by TRC = 0.3 K; disappearance of meniscus; TRC |
Tc | 632.65 | K | N/A | Livingston, Morgan, et al., 1908 | Uncertainty assigned by TRC = 6. K; calculation based on extrap. of density and surface tension; TRC |
Tc | 635.35 | K | N/A | Altschul, 1893 | Uncertainty assigned by TRC = 2. K; disappearance of meniscus; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 45.191 | bar | N/A | Young, 1910 | Uncertainty assigned by TRC = 0.3039 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.24 | mol/l | N/A | Young, 1910 | Uncertainty assigned by TRC = 0.04 mol/l; law of rectilinear diam.; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 41. ± 4. | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
35.19 | 404.9 | N/A | Majer and Svoboda, 1985 | |
48.1 | 258. to 313. | GC | Liu and Dickhut, 1994 | AC |
35.4 | 420. | A | Stephenson and Malanowski, 1987 | Based on data from 405. to 597. K.; AC |
38.8 | 348. | A | Stephenson and Malanowski, 1987 | Based on data from 333. to 405. K. See also Brown, 1952 and Boublik, Fried, et al., 1984.; AC |
37.3 | 278. | ME | Zibberman-Granovskaya, 1940 | Based on data from 253. to 303. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
335.19 to 404.88 | 4.11083 | 1435.675 | -55.124 | Brown, 1952, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.55 | 227.9 | Domalski and Hearing, 1996 | AC |
9.556 | 227.89 | Stull, 1937 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
41.93 | 227.89 | Stull, 1937 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering 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, Phase change data, Reaction thermochemistry data, Ion clustering 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 |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
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: 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 |
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 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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,
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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.,
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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,
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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]
Stull, 1937, 2
Stull, D.R.,
A Semi-micro Calorimeter for Measuring Heat Capacities at Low Temp.,
J. Am. Chem. Soc., 1937, 59, 2726. [all data]
Young, 1910
Young, S.,
The Internal Heat of Vaporization constants of thirty pure substances,
Sci. Proc. R. Dublin Soc., 1910, 12, 374. [all data]
Livingston, Morgan, et al., 1908
Livingston, J.; Morgan, R.; Higgins, E.,
The Weight of Falling Drops and Tate's Laws. Determination of Molecular Weights and Critical Temp. of Liquids Using Drop Weights: II.,
Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1908, 64, 170. [all data]
Altschul, 1893
Altschul, M.,
The critical values of some organic compounds,
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Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Liu and Dickhut, 1994
Liu, Kewen; Dickhut, Rebecca M.,
Saturation vapor pressures and thermodynamic properties of benzene and selected chlorinated benzenes at environmental temperatures,
Chemosphere, 1994, 29, 3, 581-589, https://doi.org/10.1016/0045-6535(94)90445-6
. [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]
Brown, 1952
Brown, I.,
Aust. J. Sci. Res., Ser. A, 1952, 5, 530. [all data]
Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E.,
The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]
Zibberman-Granovskaya, 1940
Zibberman-Granovskaya, A.A.,
Russ. J. Phys. Chem., 1940, 14, 759. [all data]
Brown, 1952, 2
Brown, I.,
Liquid-Vapour Equilibria. III. The Systems Benzene-n-Heptane, n-Hexane-Chlorobenzene, and cycloHexane-Nitrobenzene,
Aust. J. Sci. Res. Ser. A:, 1952, 5, 530-540. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [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,
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. [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]
Andrade and Riveros, 1996
Andrade, P.B.M.; Riveros, J.M.,
Relative Gas-phase Acidities of Fluoro- and Chlorobenzene,
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. [all data]
Bartmess and McIver Jr., 1979
Bartmess, J.E.; McIver Jr.,
The Gas Phase Acidity Scale
in Gas Phase Ion Chemistry, Gas Phase Ion Chemistry, V. 2, M.T. Bowers, Ed., Academic Press, NY, 1979, Ch. 11, Elsevier, 1979. [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]
Meot-Ner (Mautner), Hamlet, et al., 1978
Meot-Ner (Mautner), M.; Hamlet, P.; Hunter, E.P.; Field, F.H.,
Bonding Energies in Association Ions of Aromatic Molecules. Correlations with Ionization Energies,
J. Am. Chem. Soc., 1978, 100, 17, 5466, https://doi.org/10.1021/ja00485a034
. [all data]
Reents and Freiser, 1981
Reents, W.D.; Freiser, B.S.,
Gas-Phase Binding Energies and Spectroscopic Properties of NO+ Charge-Transfer Complexes,
J. Am. Chem. Soc., 1981, 103, 2791. [all data]
Farid and McMahon, 1978
Farid, R.; McMahon, T.B.,
Gas-Phase Ion-Molecule Reactions of Alkyl Nitrites by Ion Cyclotron Resonance Spectroscopy,
Int. J. Mass Spectrom. Ion Phys., 1978, 27, 2, 163, https://doi.org/10.1016/0020-7381(78)80037-0
. [all data]
Nesterova, Rozhnov, et al., 1985
Nesterova, T.N.; Rozhnov, A.M.; Malova, T.N.; Kovzel, E.N.,
Molar enthalpies of formation of isopropylchlorobenzenes derived from equilibrium measurements,
J. Chem. Thermodyn., 1985, 17, 649-656. [all data]
Kovzel, Nesterova, et al., 1981
Kovzel, E.N.; Nesterova, T.N.; Rozhnov, A.M.; Kartavtseva, T.A.,
Study of equilibrium in in the chlorobenzene-butylchlorobenzenes systems,
Termodin. Organ. Soedin., 1981, 65-68. [all data]
Kirkbride, 1956
Kirkbride, F.W.,
The heats of chlorination of some hydrocarbons and their chloro-derivatives,
J. Appl. Chem., 1956, 6, 11-21. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
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. [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]
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]
Ruscic, Klasinc, et al., 1981
Ruscic, B.; Klasinc, L.; Wolf, A.; Knop, J.V.,
Photoelectron spectra of and Ab initio calculations on chlorobenzenes. 1. Chlorobenzene and dichlorobenzenes,
J. Phys. Chem., 1981, 85, 1486. [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]
Maier and Marthaler, 1978
Maier, J.P.; Marthaler, O.,
Emission spectra of the radical cations of 1,3-dichlorobenzene, 1,4-dichlorobenzene and 1,3,5-trichlorobenzene in the gas phase,
Chem. Phys., 1978, 32, 419. [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]
Gilbert, Leach, et al., 1973
Gilbert, J.R.; Leach, W.P.; Miller, J.R.,
Ionisation appearance potential measurements in arene chromium tricarbonyls,
J. Organomet. Chem., 1973, 49, 219. [all data]
Cooks, Bertrand, et al., 1973
Cooks, R.G.; Bertrand, M.; Beynon, J.H.; Rennekamp, M.E.; Setser, D.W.,
Energy partitioning data as an ion structure probe. Substituted anisoles,
J. Am. Chem. Soc., 1973, 95, 1732. [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]
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]
Quemerais, Morlais, et al., 1967
Quemerais, A.; Morlais, M.; Robin, S.,
Spectres d'absorption du benzene et du monochlorobenzene dans l'ultraviolet de 1300 a 2300 A,
Compt. Rend., 1967, 265, 649. [all data]
Bralsford, Harris, et al., 1960
Bralsford, R.; Harris, P.V.; Price, W.C.,
The effect of fluorine on the electronic spectra and ionization potentials of molecules,
Proc. Roy. Soc. (London), 1960, A258, 459. [all data]
Watanabe, 1957
Watanabe, K.,
Ionization potentials of some molecules,
J. Chem. Phys., 1957, 26, 542. [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]
Klasinc, Novak, et al., 1978
Klasinc, L.; Novak, I.; Scholz, M.; Kluge, G.,
Photoelektronenspektren substituierter Pyridine und Benzole und ihre Interpretation durch die CNDO/SWW-Methode,
Croat. Chem. Acta, 1978, 51, 43. [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]
Ripoche, Dimicoli, et al., 1991
Ripoche, X.; Dimicoli, I.; Botter, R.,
Unimolecular decay rates for laser induced Cl loss from energy selected chlorobenzene cations [Eo(C6H5Cl+ Ü C6H5+ + Cl)=2.74±0.02 eV; cited data derived using recommended IP for chlorobenzene.],
Int. J. Mass Spectrom. Ion Processes, 1991, 107, 165. [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]
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]
Rosenstock, Stockbauer, et al., 1979
Rosenstock, H.M.; Stockbauer, R.; Parr, A.C.,
Kinetic shift in chlorobenzene ion fragmentation and the heat of formation of the phenyl ion,
J. Chem. Phys., 1979, 71, 3708. [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]
Majer and Patrick, 1962
Majer, J.R.; Patrick, C.R.,
Electron impact on some halogenated aromatic compounds,
J. Chem. Soc. Faraday Trans., 1962, 58, 17. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References
- 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 Pc Critical pressure S°liquid Entropy of liquid at standard conditions T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point 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 ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions 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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