Reaction data
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Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 63.6 ± 8.4 | kJ/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B,M |
| ΔrH° | 81.6 ± 8.4 | kJ/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
| ΔrH° | 75.73 | kJ/mol | Mobl | Giles and Grimsrud, 1993 | gas phase; B |
| ΔrH° | 75.7 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
| ΔrH° | 79.9 ± 2.9 | kJ/mol | TDEq | Dougherty, Dalton, et al., 1974 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 97.1 | J/mol*K | N/A | Larson and McMahon, 1984 | gas phase; From thermochemical cycle(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M |
| ΔrS° | 103. | J/mol*K | HPMS | Dougherty, Dalton, et al., 1974 | gas phase; M |
| ΔrS° | 61.9 | J/mol*K | PHPMS | Yamdagni and Kebarle, 1971 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 47. ± 5. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Yamdagni and Kebarle, 1971
Yamdagni, R.; Kebarle, P.,
Hydrogen bonding energies to negative ions from gas phase measurements of ionic equilibria,
J. Am. Chem. Soc., 1971, 93, 7139. [all data]
Hiraoka, Mizuno, et al., 2001
Hiraoka, K.; Mizuno, T.; Iino, T.; Eguchi, D.; Yamabe, S.,
Characteristic changes of bond energies for gas-phase cluster ions of halide ions with methane and chloromethanes,
J. Phys. Chem. A, 2001, 105, 20, 4887-4893, https://doi.org/10.1021/jp010143n
. [all data]
Giles and Grimsrud, 1993
Giles, K.; Grimsrud, E.P.,
Measurements of Equilibria and Reactivity of Cluster Ions at Atmospheric Pressure - Reactions of Cl-(CHCl3)0-2 with CH3Br and CH3I,
J. Phys. Chem., 1993, 97, 7, 1318, https://doi.org/10.1021/j100109a012
. [all data]
Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B.,
Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria,
J. Am. Chem. Soc., 1984, 106, 517. [all data]
Dougherty, Dalton, et al., 1974
Dougherty, R.C.; Dalton, J.; Roberts, J.D.,
SN2 reactions in the gas phase: Structure of the transition state,
Org. Mass Spectrom., 1974, 8, 77. [all data]
Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B.,
Gas phase negative ion chemistry of alkylchloroformates,
Can. J. Chem., 1984, 62, 675. [all data]
Notes
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- Symbols used in this document:
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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