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° | 14. ± 2. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 18.2 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| ΔrS° | 19.6 | cal/mol*K | PHPMS | French, Ikuta, et al., 1982 | gas phase; M |
| ΔrS° | 17.1 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
| ΔrS° | 19.7 | cal/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° | 8.08 ± 0.20 | kcal/mol | TDAs | Bofdanov and McMahon, 2002 | gas phase; B |
| ΔrG° | 7.30 | kcal/mol | TDAs | Hiraoka, Morise, et al., 1986 | gas phase; B |
| ΔrG° | 8.80 ± 0.30 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
| ΔrG° | 8.2 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrG° | 7.9 ± 2.0 | kcal/mol | TDAs | French, Ikuta, et al., 1982 | gas phase; B |
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.
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]
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]
Hiraoka, Takimoto, et al., 1986
Hiraoka, K.; Takimoto, H.; Morise, K.; Shoda, T.; Nakamura, S.,
Ion-Molecule Reactions in Gaseous Acetone,
Bull. Chem. Soc. Japan, 1986, 59, 7, 2247, https://doi.org/10.1246/bcsj.59.2247
. [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]
Bofdanov and McMahon, 2002
Bofdanov, B.; McMahon, T.B.,
Structures, Thermochemistry, and Infrared Spectra of Chloride Ion-Fluorinated Acetone Complexes and Neutral Fluorinated Acetones in the Gas Phase: Experiment and Theory,
Int. J. Mass Spectrom., 2002, 219, 3, 593-613, https://doi.org/10.1016/S1387-3806(02)00745-5
. [all data]
Hiraoka, Morise, et al., 1986
Hiraoka, K.; Morise, K.; Nishijima, T.; Nakamura, S.; Nakazato, M.; Ohkuma, K.,
Gas Phase Ion Equilibria Studies of Protons and Chloride Ions in Propanol and Acetone,
Int. J. Mass Spectrom. Ion Proc., 1986, 68, 1-2, 99, https://doi.org/10.1016/0168-1176(86)87071-9
. [all data]
Larson and McMahon, 1984, 2
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]
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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