Chlorine anion
- Formula: Cl-
- Molecular weight: 35.454
- IUPAC Standard InChI: InChI=1S/ClH/h1H/p-1
- IUPAC Standard InChIKey: VEXZGXHMUGYJMC-UHFFFAOYSA-M
- CAS Registry Number: 16887-00-6
- Chemical structure:
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- Information on this page:
- Other data available:
- Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 150, reactions 151 to 200, reactions 201 to 250, reactions 251 to 300, reactions 301 to 314
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Gas phase thermochemistry data
Go To: Top, 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| S°gas,1 bar | 36.654 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1982 |
Reaction thermochemistry data
Go To: Top, Gas phase 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:
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. 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.
Reactions 1 to 50
+
= (
•
)
By formula: Cl- + H2O = (Cl- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15. ± 5. | kcal/mol | AVG | N/A | Average of 11 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19. ± 3. | cal/mol*K | AVG | N/A | Average of 8 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 9. ± 4. | kcal/mol | AVG | N/A | Average of 9 values; Individual data points |
+
= (
•
)
By formula: Cl- + CH4O = (Cl- • CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17. ± 3. | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.6 | cal/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
| ΔrS° | 24.1 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| ΔrS° | 22.0 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| ΔrS° | 22.9 | 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 |
| ΔrS° | 14.8 | cal/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.1 ± 0.8 | kcal/mol | AVG | N/A | Average of 10 values; Individual data points |
+
= (
•
)
By formula: Cl- + HCl = (Cl- • HCl)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 29.6 ± 1.0 | kcal/mol | N/A | Metz, Kitsopoulos, et al., 1988 | gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B |
| ΔrH° | 23.8 ± 2.0 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B,M |
| ΔrH° | 23.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrH° | 23.70 ± 0.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B,M |
| ΔrH° | 20.4 | kcal/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle(Cl-)H2O/HCl, Entropy change calculated or estimated; Keesee and Castleman, 1980; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.3 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Cl-)SO2; M |
| ΔrS° | 23.5 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
| ΔrS° | 23.5 | 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 |
| ΔrS° | 22.8 | cal/mol*K | N/A | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle(Cl-)H2O/HCl, Entropy change calculated or estimated; Keesee and Castleman, 1980; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 16.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1987 | gas phase; K = 0.60 for HCl..Cl- + DCL <=> DCl..Cl- + HCl, anchored to Larson and McMahon, 1984, 32; B |
| ΔrG° | 17.1 ± 2.6 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B |
| ΔrG° | 16.0 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrG° | 16.70 ± 0.30 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B |
| ΔrG° | 13.6 | kcal/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; From thermochemical cycle(Cl-)H2O/HCl, Entropy change calculated or estimated; Keesee and Castleman, 1980; M |
+
= (
•
)
By formula: Cl- + O2S = (Cl- • O2S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 22.2 ± 2.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B,M |
| ΔrH° | 20.9 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B |
| ΔrH° | 22.2 ± 2.2 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M |
| ΔrH° | 21.80 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
| ΔrH° | 20.9 | kcal/mol | ICR | 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 |
| ΔrS° | 21.6 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
| ΔrS° | 24.1 | cal/mol*K | N/A | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(Cl-)H2O), Entropy change calculated or estimated; Keesee and Castleman, 1980; M |
| ΔrS° | 20.8 | 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 |
| ΔrS° | 23.2 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 15.7 ± 2.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B |
| ΔrG° | 14.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B |
| ΔrG° | 15.0 ± 1.6 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..Cl- in Keesee, Lee, et al., 1980; B,M |
| ΔrG° | 14.80 ± 0.30 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
| ΔrG° | 14.7 | kcal/mol | ICR | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 14.2 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; switching reaction(Cl-)H2O; M |
+
= (
•
)
By formula: Cl- + C6H6 = (Cl- • C6H6)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.00 ± 0.46 | kcal/mol | N/A | Tschurl, Ueberfluss, et al., 2007 | gas phase; B |
| ΔrH° | 9.4 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
| ΔrH° | 9.90 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrH° | 8.7 | kcal/mol | PHPMS | Paul and Kebarle, 1991 | gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M |
| ΔrH° | 10.4 | kcal/mol | PHPMS | Sunner, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 17.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
| ΔrS° | 17. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M |
| ΔrS° | 17.1 | 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 |
| ΔrS° | 22. | cal/mol*K | N/A | Sunner, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 4.0 ± 2.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
| ΔrG° | 3.8 ± 1.6 | kcal/mol | IMRE | Chowdhury and Kebarle, 1986 | gas phase; B |
| ΔrG° | 4.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrG° | 3.80 | kcal/mol | IMRE | French, Ikuta, et al., 1982 | gas phase; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 3.6 | 300. | PHPMS | Paul and Kebarle, 1991 | gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M |
| 3.8 | 300. | PHPMS | Chowdhury and Kebarle, 1986 | gas phase; M |
| 3.8 | 300. | PHPMS | Sunner, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
( • 2
) +
= (
• 3
)
By formula: (Cl- • 2H2O) + H2O = (Cl- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12. ± 2. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| ΔrS° | 22.4 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
| ΔrS° | 23.2 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.0 ± 0.5 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
+
= (
•
)
By formula: Cl- + C2H3N = (Cl- • C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15. ± 2. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 15.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| ΔrS° | 15.7 | cal/mol*K | PHPMS | Yamabe, Furumiya, et al., 1986 | gas phase; M |
| ΔrS° | 14.3 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| ΔrS° | 14.3 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
| ΔrS° | 21.4 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.20 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| ΔrG° | 9.2 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B |
| ΔrG° | 8.9 ± 2.6 | kcal/mol | TDAs | Yamabe, Furumiya, et al., 1986 | gas phase; B |
| ΔrG° | 10.10 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
| ΔrG° | 9.2 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (Cl- • H2O) + H2O = (Cl- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13. ± 1. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| ΔrS° | 20.5 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
| ΔrS° | 20.8 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 6.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrG° | 6.50 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B |
| ΔrG° | 6.5 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
| ΔrG° | 6.50 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
| ΔrG° | 6.7 | kcal/mol | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
+
= (
•
)
By formula: Cl- + C4H10O = (Cl- • C4H10O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 19. ± 4. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 27.4 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| ΔrS° | 24.0 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| ΔrS° | 23.4 | cal/mol*K | N/A | Larson and McMahon, 1984 | gas phase; Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
| ΔrS° | 27. | cal/mol*K | PHPMS | Kebarle, 1977 | gas phase; M |
| ΔrS° | 10.3 | cal/mol*K | N/A | Yamdagni and Kebarle, 1971 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 11.58 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 12.30 ± 0.30 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
| ΔrG° | 11.60 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrG° | 11.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrG° | 11.1 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B |
+
= (
•
)
By formula: Cl- + C7H5NO = (Cl- • C7H5NO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 35.1 ± 2.0 | kcal/mol | TDEq | Cummings, French, et al., 1977 | gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B,M,M |
| ΔrH° | 35.3 | kcal/mol | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25. | cal/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| ΔrS° | 28. | cal/mol*K | N/A | Cummings, French, et al., 1977 | gas phase; switching reaction(Cl-)4-Cl-phenol, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
| ΔrS° | 26. | cal/mol*K | N/A | Cummings, French, et al., 1977 | gas phase; switching reaction(Cl-)4-F-phenol, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 27.3 ± 2.0 | kcal/mol | TDEq | Cummings, French, et al., 1977 | gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 24.7 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| 26.2 | 300. | PHPMS | Cummings, French, et al., 1977 | gas phase; switching reaction(Cl-)4-Cl-phenol, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
| 25.8 | 300. | PHPMS | Cummings, French, et al., 1977 | gas phase; switching reaction(Cl-)4-F-phenol, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
+
= (
•
)
By formula: Cl- + C3H6O = (Cl- • C3H6O)
| 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 |
+
= (
•
)
By formula: Cl- + CHCl3 = (Cl- • CHCl3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.2 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B,M |
| ΔrH° | 19.5 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
| ΔrH° | 18.10 | kcal/mol | Mobl | Giles and Grimsrud, 1993 | gas phase; B |
| ΔrH° | 18.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrH° | 19.10 ± 0.70 | kcal/mol | TDEq | Dougherty, Dalton, et al., 1974 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.2 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; From thermochemical cycle(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| ΔrS° | 24.5 | cal/mol*K | HPMS | Dougherty, Dalton, et al., 1974 | gas phase; M |
| ΔrS° | 14.8 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1971 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 11. ± 1. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
+
= (
•
)
By formula: Cl- + C6H6O = (Cl- • C6H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 26.0 ± 2.0 | kcal/mol | TDAs | French, Ikuta, et al., 1982 | gas phase; B,M |
| ΔrH° | 26.0 ± 2.0 | kcal/mol | TDEq | Cummings, French, et al., 1977 | gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B |
| ΔrH° | 27.4 | kcal/mol | PHPMS | Kebarle, 1977 | gas phase; M |
| ΔrH° | 26.5 | kcal/mol | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| ΔrH° | 19.4 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 26.0 | cal/mol*K | PHPMS | French, Ikuta, et al., 1982 | gas phase; M |
| ΔrS° | 25. | cal/mol*K | PHPMS | Kebarle, 1977 | gas phase; M |
| ΔrS° | 25. | cal/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| ΔrS° | 15.5 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1971 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 19.2 ± 2.0 | kcal/mol | TDAs | French, Ikuta, et al., 1982 | gas phase; B |
| ΔrG° | 18.5 ± 2.0 | kcal/mol | TDEq | Cummings, French, et al., 1977 | gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B |
| ΔrG° | 14.8 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 15.9 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
+
= (
•
)
By formula: Cl- + C6H5Cl = (Cl- • C6H5Cl)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.00 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| ΔrH° | 13.6 ± 1.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,B,M |
| ΔrH° | 12.6 | kcal/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° | 20. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M |
| ΔrS° | 16.5 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| ΔrS° | 22.4 | 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° | 7.10 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
| ΔrG° | 6.9 ± 1.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,B,M |
| ΔrG° | 6.50 | kcal/mol | TDEq | French, Ikuta, et al., 1982 | gas phase; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 6.6 | 300. | PHPMS | Paul and Kebarle, 1991 | gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M |
| 6.5 | 300. | PHPMS | French, Ikuta, et al., 1982 | gas phase; M |
( • 3
) +
= (
• 4
)
By formula: (Cl- • 3H2O) + H2O = (Cl- • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrH° | 9.70 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
| ΔrH° | 10.6 ± 0.3 | kcal/mol | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| ΔrH° | 10.90 ± 0.70 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B,M |
| ΔrH° | 11.1 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| ΔrS° | 24.8 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
| ΔrS° | 25.8 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrG° | 3.50 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B |
| ΔrG° | 3.40 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
| ΔrG° | 4.0 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + CH3Cl = (Cl- • CH3Cl)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.4 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| ΔrH° | 11.7 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
| ΔrH° | 12.2 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrH° | 8.60 ± 0.20 | kcal/mol | TDAs | Dougherty, Dalton, et al., 1974 | gas phase; B,M |
| ΔrH° | 15.2 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.5 | 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 |
| ΔrS° | 15.3 | cal/mol*K | HPMS | Dougherty, Dalton, et al., 1974 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.80 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| ΔrG° | 4.84 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
| ΔrG° | 6.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrG° | 4.10 ± 0.50 | kcal/mol | TDAs | Dougherty, Dalton, et al., 1974 | gas phase; B |
| ΔrG° | 10.8 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B |
+
= (
•
)
By formula: Cl- + CH2O2 = (Cl- • CH2O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 27.4 ± 2.0 | kcal/mol | TDAs | French, Ikuta, et al., 1982 | gas phase; B,M |
| ΔrH° | 27.7 ± 2.1 | kcal/mol | CIDT | Walker and Sunderlin, 1999 | gas phase; B |
| ΔrH° | 25.6 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrH° | 37.2 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; In serious disagreement with other's values. Source of error not obvious.; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24.5 | cal/mol*K | PHPMS | French, Ikuta, et al., 1982 | gas phase; M |
| ΔrS° | 24.1 | 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 |
| ΔrS° | 39.6 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1971 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 20.1 ± 2.0 | kcal/mol | TDAs | French, Ikuta, et al., 1982 | gas phase; B |
| ΔrG° | 18.4 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrG° | 25.4 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; In serious disagreement with other's values. Source of error not obvious.; B |
+
= (
•
)
By formula: Cl- + C6H5ClO = (Cl- • C6H5ClO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 29.6 ± 2.0 | kcal/mol | TDEq | Cummings, French, et al., 1977 | gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B,M |
| ΔrH° | 30.1 | kcal/mol | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25. | cal/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| ΔrS° | 26.3 | cal/mol*K | N/A | Cummings, French, et al., 1977 | gas phase; switching reaction(Cl-)C6H5OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 22.1 ± 2.0 | kcal/mol | TDEq | Cummings, French, et al., 1977 | gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 19.5 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| 21.0 | 300. | PHPMS | Cummings, French, et al., 1977 | gas phase; switching reaction(Cl-)C6H5OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
+
= (
•
)
By formula: Cl- + C6H5FO = (Cl- • C6H5FO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 27.9 ± 2.0 | kcal/mol | TDEq | Cummings, French, et al., 1977 | gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B,M |
| ΔrH° | 28.6 | kcal/mol | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25. | cal/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| ΔrS° | 25.3 | cal/mol*K | N/A | Cummings, French, et al., 1977 | gas phase; switching reaction(Cl-)C6H5OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 20.6 ± 2.0 | kcal/mol | TDEq | Cummings, French, et al., 1977 | gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 18.0 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| 19.3 | 300. | PHPMS | Cummings, French, et al., 1977 | gas phase; switching reaction(Cl-)C6H5OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
+
= (
•
)
By formula: Cl- + C2H6O = (Cl- • C2H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.90 ± 0.40 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 17.60 ± 0.50 | kcal/mol | TDAs | Hiraoka, 1987 | gas phase; B,B,M |
| ΔrH° | 17.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.7 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| ΔrS° | 23.1 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.65 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 10.5 ± 2.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrG° | 10.5 ± 2.0 | kcal/mol | TDAs | Hiraoka, 1987 | gas phase; B |
| ΔrG° | 10.4 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 10.0 | 295. | ICR | Riveros, 1974 | gas phase; switching reaction(Cl-)CH3OH; Riveros, Breda, et al., 1973; M |
( •
) +
= (
• 2
)
By formula: (Cl- • CH4O) + CH4O = (Cl- • 2CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.10 ± 0.40 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 13.70 ± 0.20 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; B,M |
| ΔrH° | 14.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| ΔrH° | 13.00 ± 0.70 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24.2 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| ΔrS° | 22.0 | cal/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
| ΔrS° | 19.4 | cal/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.30 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 7.10 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; B |
| ΔrG° | 6.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrG° | 7.20 ± 0.40 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
( • 2
) +
= (
• 3
)
By formula: (Cl- • 2CH4O) + CH4O = (Cl- • 3CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.50 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 10.80 ± 0.30 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; B,M |
| ΔrH° | 11.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| ΔrH° | 12.30 ± 0.60 | kcal/mol | N/A | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.9 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| ΔrS° | 22.7 | cal/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
| ΔrS° | 23.6 | cal/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.06 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 4.00 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; B |
| ΔrG° | 4.9 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrG° | 5.20 ± 0.30 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
+
= (
•
)
By formula: Cl- + C6H5NO2 = (Cl- • C6H5NO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.3 ± 1.0 | kcal/mol | TDAs | Chowdhury and Kebarle, 1986 | gas phase; B,M |
| ΔrH° | 16.5 | kcal/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° | 20. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M |
| ΔrS° | 19.4 | cal/mol*K | PHPMS | Chowdhury and Kebarle, 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.5 ± 1.6 | kcal/mol | TDAs | Chowdhury and Kebarle, 1986 | gas phase; B |
| ΔrG° | 7.10 | kcal/mol | TDEq | French, Ikuta, et al., 1982 | gas phase; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 10.5 | 300. | PHPMS | Paul and Kebarle, 1991 | gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M |
| 7.7 | 300. | PHPMS | French, Ikuta, et al., 1982 | gas phase; M |
+
= (
•
)
By formula: Cl- + C6H15B = (Cl- • C6H15B)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 23.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
| ΔrH° | 23.8 | kcal/mol | ICR | 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 |
| ΔrS° | 22. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(t-C4H9OH), Entropy change calculated or estimated; M |
| ΔrS° | 22.0 | 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° | 17.2 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
| ΔrG° | 17.2 | kcal/mol | ICR | 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 |
|---|---|---|---|---|---|
| ΔrH° | 333.40 | kcal/mol | N/A | Martin and Hepburn, 1998 | gas phase; Given: ΔHacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol; B |
| ΔrH° | 333.6 ± 2.1 | kcal/mol | G+TS | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale; B |
| ΔrH° | 329.10 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeCC-(q); ; ΔS(EA)=5.0; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 328.10 ± 0.10 | kcal/mol | H-TS | Martin and Hepburn, 1998 | gas phase; Given: ΔHacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol; B |
| ΔrG° | 328.3 ± 2.0 | kcal/mol | IMRE | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale; B |
| ΔrG° | 323.70 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeCC-(q); ; ΔS(EA)=5.0; B |
+
= (
•
)
By formula: Cl- + C2H4O2 = (Cl- • C2H4O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 24.40 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| ΔrH° | 21.6 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B,M |
| ΔrH° | 23.9 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.6 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| ΔrS° | 24.0 | 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 |
| ΔrS° | 19.3 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1971 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 18.60 ± 0.30 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
| ΔrG° | 15.8 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B |
| ΔrG° | 16.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + H3N = (Cl- • H3N)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | <7.30 ± 0.40 | kcal/mol | N/A | Tschurl and Boesl, 2008 | gas phase; B |
| ΔrH° | 8.20 ± 0.10 | kcal/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B,M |
| ΔrH° | 8.9 ± 1.2 | kcal/mol | N/A | Markovich, Chesnovsky, et al., 1993 | gas phase; B |
| ΔrH° | 10.5 ± 4.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 15.4 | cal/mol*K | HPMS | Evans, Keesee, et al., 1987 | gas phase; M |
| ΔrS° | 19.9 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)CH3F, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.60 ± 0.20 | kcal/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B |
| ΔrG° | 4.5 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C7H8O = (Cl- • C7H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 25.6 ± 2.0 | kcal/mol | TDEq | Cummings, French, et al., 1977 | gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B,M |
| ΔrH° | 25.9 | kcal/mol | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25. | cal/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| ΔrS° | 26.7 | cal/mol*K | PHPMS | Cummings, French, et al., 1977 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 17.9 ± 2.0 | kcal/mol | TDEq | Cummings, French, et al., 1977 | gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 15.3 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| 16.6 | 300. | PHPMS | Cummings, French, et al., 1977 | gas phase; M |
+
= (
•
)
By formula: Cl- + C3H8O = (Cl- • C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 19.40 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 18.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| ΔrH° | 17.6 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24.7 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| ΔrS° | 23.2 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 11.32 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 10.90 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrG° | 10.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
( • 6
) +
= (
• 7
)
By formula: (Cl- • 6H2O) + H2O = (Cl- • 7H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B |
| ΔrH° | 6.90 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
| ΔrH° | 8.1 | kcal/mol | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20. | cal/mol*K | N/A | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B |
+
= (
•
)
By formula: Cl- + CH2Cl2 = (Cl- • CH2Cl2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrH° | 14.8 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
| ΔrH° | 15.50 ± 0.30 | kcal/mol | TDEq | Dougherty, Dalton, et al., 1974 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.1 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Kebarle, 1977; M |
| ΔrS° | 22.0 | cal/mol*K | HPMS | Dougherty, Dalton, et al., 1974 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 9.2 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrG° | 8.84 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
| ΔrG° | 8.90 ± 0.60 | kcal/mol | TDEq | Dougherty, Dalton, et al., 1974 | gas phase; B |
+
= (
•
)
By formula: Cl- + F3P = (Cl- • F3P)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.5 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B |
| ΔrH° | 15.5 | kcal/mol | ICR | 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 |
| ΔrS° | 21.0 | 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° | 9.2 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B |
| ΔrG° | 9.2 | kcal/mol | ICR | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
+
= (
•
)
By formula: Cl- + C3H8O = (Cl- • C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 20.40 ± 0.50 | kcal/mol | TDAs | Hiraoka, 1987 | gas phase; B,B,M |
| ΔrH° | 17.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 29.0 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| ΔrS° | 23.2 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 11.70 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrG° | 11.7 ± 2.0 | kcal/mol | TDAs | Hiraoka, 1987 | gas phase; B |
| ΔrG° | 10.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + CHN = (Cl- • CHN)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 21.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B,B,M |
| ΔrH° | 21.0 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 18.9 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
| ΔrS° | 23.7 | 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° | 16.2 ± 1.6 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
| ΔrG° | 16.1 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
| ΔrG° | 13.9 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + CO2 = (Cl- • CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.80 ± 0.50 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B |
| ΔrH° | 7.60 | kcal/mol | TDEq | Hiraoka, Shoda, et al., 1986 | gas phase; B,M |
| ΔrH° | 8.00 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 18.2 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
| ΔrS° | 19.6 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.10 | kcal/mol | TDEq | Hiraoka, Shoda, et al., 1986 | gas phase; B |
| ΔrG° | 2.10 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
( • 3
) +
= (
• 4
)
By formula: (Cl- • 3CH4O) + CH4O = (Cl- • 4CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| ΔrH° | 10.50 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; B |
| ΔrH° | 11.20 ± 0.60 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.9 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| ΔrS° | 26.4 | cal/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrG° | 3.70 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; B |
| ΔrG° | 3.30 ± 0.20 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
( • 4
) +
= (
• 5
)
By formula: (Cl- • 4H2O) + H2O = (Cl- • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrH° | 6.70 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
| ΔrH° | 9.5 ± 0.3 | kcal/mol | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrG° | 2.9 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C3F6O = (Cl- • C3F6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 28.8 ± 1.0 | kcal/mol | TDAs | Bofdanov and McMahon, 2002 | gas phase; B |
| ΔrH° | 22.9 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(t-C4H9OH), Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 17.6 ± 1.0 | kcal/mol | TDAs | Bofdanov and McMahon, 2002 | gas phase; B |
| ΔrG° | 16.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
| ΔrG° | 16.3 | kcal/mol | ICR | Larson and McMahon, 1984, 3 | gas phase; switching reaction(Cl-)(C2H5)3B; M |
( • 3
) +
= (
• 4
)
By formula: (Cl- • 3C2H3N) + C2H3N = (Cl- • 4C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.90 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B,M |
| ΔrH° | 9.00 ± 0.80 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
| ΔrH° | 6.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 26.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| ΔrS° | 10.8 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.9 ± 1.2 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B |
| ΔrG° | 3.00 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
+
= (
•
)
By formula: Cl- + C3HF5O = (Cl- • C3HF5O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 26.1 ± 1.0 | kcal/mol | TDAs | Bofdanov and McMahon, 2002 | gas phase; B |
| ΔrH° | 23.4 | kcal/mol | ICR | 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 |
| ΔrS° | 23.9 | 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° | 17.2 ± 1.0 | kcal/mol | TDAs | Bofdanov and McMahon, 2002 | gas phase; B |
| ΔrG° | 16.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 3 | gas phase; B,M,M |
+
= (
•
)
By formula: Cl- + C3H2F6O = (Cl- • C3H2F6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 26.5 | kcal/mol | ICR | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)(CF3)2CH3COH, Entropy change calculated or estimated, DG>, ΔrH>; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.0 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)(CF3)2CH3COH, Entropy change calculated or estimated, DG>, ΔrH>; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 19.0 | kcal/mol | ICR | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)(CF3)2CH3COH, Entropy change calculated or estimated, DG>, ΔrH>; Larson and McMahon, 1984; M |
( • 2
) +
= (
• 3
)
By formula: (Cl- • 2C2H3N) + C2H3N = (Cl- • 3C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.20 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B,M |
| ΔrH° | 12.00 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
| ΔrH° | 10.60 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| ΔrS° | 20.1 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.3 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B |
| ΔrG° | 4.60 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
+
= (
•
)
By formula: Cl- + CS2 = (Cl- • CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.80 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
| ΔrH° | 11.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 13.9 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
| ΔrS° | 20. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 4.6 ± 2.2 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
| ΔrG° | 5.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
( •
) +
= (
• 2
)
By formula: (Cl- • C2H3N) + C2H3N = (Cl- • 2C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.50 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B,M |
| ΔrH° | 12.00 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
| ΔrH° | 12.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 16.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| ΔrS° | 18.9 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.6 ± 1.2 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B |
| ΔrG° | 6.60 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
By formula: Cl- + C4H4F6O = (Cl- • C4H4F6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 26.5 | kcal/mol | ICR | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)HCOOH, Entropy change calculated or estimated, DG>, ΔrH>; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.0 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)HCOOH, Entropy change calculated or estimated, DG>, ΔrH>; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 19.0 | kcal/mol | ICR | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)HCOOH, Entropy change calculated or estimated, DG>, ΔrH>; Larson and McMahon, 1984; M |
( • 5
) +
= (
• 6
)
By formula: (Cl- • 5H2O) + H2O = (Cl- • 6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrH° | 8.50 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
| ΔrH° | 8.8 ± 0.4 | kcal/mol | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.4 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
+
= (
•
)
By formula: Cl- + CH3Br = (Cl- • CH3Br)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.5 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| ΔrH° | 10.90 ± 0.50 | kcal/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B,M |
| ΔrH° | 12.2 ± 3.0 | kcal/mol | IMRB | Riveros, Breda, et al., 1973 | gas phase; Anchored: Larson and McMahon, 1984, 3; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 12.8 | cal/mol*K | HPMS | Dougherty and Roberts, 1974 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 6.80 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| ΔrG° | 7.1 ± 1.2 | kcal/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (Cl- • HCl) + HCl = (Cl- • 2HCl)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.20 ± 0.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B,M |
| ΔrH° | 14.0 | kcal/mol | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Cl- HCl)SO2; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.4 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(Cl- HCl)SO2; M |
| ΔrS° | 24.4 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.90 ± 0.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1974 | gas phase; B |
By formula: Cl- + Cl4Th = (Cl- • Cl4Th)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 24.2 | kcal/mol | ICR | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(t-C4H9OH), Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(t-C4H9OH), Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 17.6 | kcal/mol | ICR | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(t-C4H9OH), Entropy change calculated or estimated; M |
By formula: Cl- + C2H3ClO2 = (Cl- • C2H3ClO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.1 | kcal/mol | ICR | 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 |
| ΔrS° | 21.0 | 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° | 7.8 | kcal/mol | ICR | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry 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 compiled by: John E. Bartmess
Protonation reactions
+
=
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 333.40 | kcal/mol | N/A | Martin and Hepburn, 1998 | gas phase; Given: ΔHacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol |
| ΔrH° | 333.6 ± 2.1 | kcal/mol | G+TS | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale |
| ΔrH° | 329.10 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeCC-(q); ; ΔS(EA)=5.0 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 328.10 ± 0.10 | kcal/mol | H-TS | Martin and Hepburn, 1998 | gas phase; Given: ΔHacid(0K)=116288.7±0.6 cm-1, or 332.486±0.002 kcal/mol |
| ΔrG° | 328.3 ± 2.0 | kcal/mol | IMRE | Fujio, McIver, et al., 1981 | gas phase; value altered from reference due to change in acidity scale |
| ΔrG° | 323.70 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeCC-(q); ; ΔS(EA)=5.0 |
Ion clustering 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:
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
= C4HClF9-
By formula: Cl- = C4HClF9-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 15.50 ± 0.30 | kcal/mol | IMRE | Guerrero, Herrero, et al., 2009 | gas phase; B |
= C5H10Cl-
By formula: Cl- = C5H10Cl-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.51 | kcal/mol | N/A | Ziegler, Gamble, et al., 2013 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.61 | kcal/mol | N/A | Ziegler, Gamble, et al., 2013 | gas phase; B |
= C5H12Cl-
By formula: Cl- = C5H12Cl-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.96 | kcal/mol | N/A | Ziegler, Gamble, et al., 2013 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.61 | kcal/mol | N/A | Ziegler, Gamble, et al., 2013 | gas phase; B |
= C6H12Cl-
By formula: Cl- = C6H12Cl-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.56 | kcal/mol | N/A | Ziegler, Gamble, et al., 2013 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.00 | kcal/mol | N/A | Ziegler, Gamble, et al., 2013 | gas phase; B |
= C6H14Cl-
By formula: Cl- = C6H14Cl-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.18 | kcal/mol | N/A | Ziegler, Gamble, et al., 2013 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.20 | kcal/mol | N/A | Ziegler, Gamble, et al., 2013 | gas phase; B |
= C7H14Cl-
By formula: Cl- = C7H14Cl-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.52 | kcal/mol | N/A | Ziegler, Gamble, et al., 2013 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.54 | kcal/mol | N/A | Ziegler, Gamble, et al., 2013 | gas phase; B |
= C7H16Cl-
By formula: Cl- = C7H16Cl-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.52 | kcal/mol | N/A | Ziegler, Gamble, et al., 2013 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.60 | kcal/mol | N/A | Ziegler, Gamble, et al., 2013 | gas phase; B |
= C8H8Cl-
By formula: Cl- = C8H8Cl-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 20.1 ± 1.6 | kcal/mol | CIDT | Hammad and Wenthold, 2000 | gas phase; B |
= C8H16Cl-
By formula: Cl- = C8H16Cl-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.52 | kcal/mol | N/A | Ziegler, Gamble, et al., 2013 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.25 | kcal/mol | N/A | Ziegler, Gamble, et al., 2013 | gas phase; B |
= C8H18Cl-
By formula: Cl- = C8H18Cl-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.74 | kcal/mol | N/A | Ziegler, Gamble, et al., 2013 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 4.47 | kcal/mol | N/A | Ziegler, Gamble, et al., 2013 | gas phase; B |
= ClN2O-
By formula: Cl- = ClN2O-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.50 ± 0.10 | kcal/mol | N/A | Boesl, Distelrath, et al., 2008 | gas phase; B |
+
= (
•
)
By formula: Cl- + AlClF2 = (Cl- • AlClF2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 74.3 ± 2.9 | kcal/mol | TDAs | Pervova, Korobov, et al., 1992 | gas phase; Thermo at 0K, experiments at 800-1100K. See also AlCl2F..F-; value altered from reference due to conversion from electron convention to ion convention; B |
+
= (
•
)
By formula: Cl- + AlCl2F = (Cl- • AlCl2F)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 75.3 ± 2.9 | kcal/mol | TDAs | Pervova, Korobov, et al., 1992 | gas phase; Thermo at 0K, experiemnts at 800-1100K. See also AlCl3..F-; value altered from reference due to conversion from electron convention to ion convention; B |
By formula: Cl- + AlCl3 = (Cl- • AlCl3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 76.7 ± 2.9 | kcal/mol | TDAs | Pervova, Korobov, et al., 1992 | gas phase; Thermo at 0K, experiments at 800-1100 K; value altered from reference due to conversion from electron convention to ion convention; B |
+
= (
•
)
By formula: Cl- + AlF3 = (Cl- • AlF3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 74.3 ± 2.9 | kcal/mol | TDAs | Pervova, Korobov, et al., 1992 | gas phase; Thermo at 0K, experiment at 800-1100 K. See also AlClF2..F-; value altered from reference due to conversion from electron convention to ion convention; B |
+
= AsCl4-
By formula: Cl- + AsCl3 = AsCl4-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 27.5 ± 1.7 | kcal/mol | CIDT | Walker, Check, et al., 2002 | gas phase; B |
+
= (
•
)
By formula: Cl- + AsF3 = (Cl- • AsF3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 25.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 18.6 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + BCl3 = (Cl- • BCl3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 69.0 ± 2.0 | kcal/mol | Ther | Krivtsov, Titova, et al., 1977 | gas phase; Halide affinities from this reference are too high. G3MP2B3 calculations indicate an dHaff ca. 46 kcal/mol; value altered from reference due to conversion from electron convention to ion convention; B |
+
= (
•
)
By formula: Cl- + BF3 = (Cl- • BF3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 26.0 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 19.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
By formula: Cl- + BiCl3 = BiCl4-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 36.6 ± 3.6 | kcal/mol | CIDT | Walker, Check, et al., 2002 | gas phase; B |
+
= CBrClF3-
By formula: Cl- + CBrF3 = CBrClF3-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.50 ± 0.20 | kcal/mol | TDAs | Bogdanov and McMahon, 2006 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 9.20 | kcal/mol | TDAs | Bogdanov and McMahon, 2006 | gas phase; B |
+
= (
•
)
By formula: Cl- + CCl2O = (Cl- • CCl2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.5 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 6.5 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + CCl4 = (Cl- • CCl4)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.4 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
| ΔrH° | 14.20 ± 0.70 | kcal/mol | TDAs | Dougherty, Dalton, et al., 1974 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 27.8 | cal/mol*K | HPMS | Dougherty, Dalton, et al., 1974 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.05 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
| ΔrG° | 5.90 ± 0.90 | kcal/mol | TDAs | Dougherty, Dalton, et al., 1974 | gas phase; B |
+
= (
•
)
By formula: Cl- + CF2O = (Cl- • CF2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.5 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 6.6 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
+
= CClF3I-
By formula: Cl- + CF3I = CClF3I-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 23.60 ± 0.20 | kcal/mol | TDAs | Bogdanov and McMahon, 2006 | gas phase; B |
+
= (
•
)
By formula: Cl- + CHClF2 = (Cl- • CHClF2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.2 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.0 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + CHCl2F = (Cl- • CHCl2F)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.6 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.1 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + CHCl3 = (Cl- • CHCl3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.2 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B,M |
| ΔrH° | 19.5 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
| ΔrH° | 18.10 | kcal/mol | Mobl | Giles and Grimsrud, 1993 | gas phase; B |
| ΔrH° | 18.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrH° | 19.10 ± 0.70 | kcal/mol | TDEq | Dougherty, Dalton, et al., 1974 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.2 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; From thermochemical cycle(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| ΔrS° | 24.5 | cal/mol*K | HPMS | Dougherty, Dalton, et al., 1974 | gas phase; M |
| ΔrS° | 14.8 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1971 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 11. ± 1. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
+
= (
•
)
By formula: Cl- + CHF3 = (Cl- • CHF3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.7 ± 2.4 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.9 | 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° | 9.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + CHN = (Cl- • CHN)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 21.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B,B,M |
| ΔrH° | 21.0 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 18.9 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
| ΔrS° | 23.7 | 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° | 16.2 ± 1.6 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
| ΔrG° | 16.1 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
| ΔrG° | 13.9 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
( •
) +
= (
• 2
)
By formula: (Cl- • CHN) + CHN = (Cl- • 2CHN)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.9 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.7 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 11.10 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
( • 2
) +
= (
• 3
)
By formula: (Cl- • 2CHN) + CHN = (Cl- • 3CHN)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.6 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.4 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.20 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
( • 3
) +
= (
• 4
)
By formula: (Cl- • 3CHN) + CHN = (Cl- • 4CHN)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.2 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.4 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 4.20 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
( • 4
) +
= (
• 5
)
By formula: (Cl- • 4CHN) + CHN = (Cl- • 5CHN)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.3 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.50 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
( • 5
) +
= (
• 6
)
By formula: (Cl- • 5CHN) + CHN = (Cl- • 6CHN)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.7 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24.3 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.50 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
( • 6
) +
= (
• 7
)
By formula: (Cl- • 6CHN) + CHN = (Cl- • 7CHN)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.9 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.1 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.00 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
( • 7
) +
= (
• 8
)
By formula: (Cl- • 7CHN) + CHN = (Cl- • 8CHN)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.2 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 27.4 | cal/mol*K | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 0.0 ± 2.2 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; B |
( • 8
) +
= (
• 9
)
By formula: (Cl- • 8CHN) + CHN = (Cl- • 9CHN)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.5 ± 1.0 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy estimated; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25. | cal/mol*K | N/A | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 0.10 | kcal/mol | TDAs | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy estimated; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 3.2 | 171. | PHPMS | Meot-ner, Cybulski, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
+
= (
•
)
By formula: Cl- + CH2Cl2 = (Cl- • CH2Cl2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrH° | 14.8 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
| ΔrH° | 15.50 ± 0.30 | kcal/mol | TDEq | Dougherty, Dalton, et al., 1974 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.1 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Kebarle, 1977; M |
| ΔrS° | 22.0 | cal/mol*K | HPMS | Dougherty, Dalton, et al., 1974 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 9.2 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrG° | 8.84 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
| ΔrG° | 8.90 ± 0.60 | kcal/mol | TDEq | Dougherty, Dalton, et al., 1974 | gas phase; B |
+
= (
•
)
By formula: Cl- + CH2O2 = (Cl- • CH2O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 27.4 ± 2.0 | kcal/mol | TDAs | French, Ikuta, et al., 1982 | gas phase; B,M |
| ΔrH° | 27.7 ± 2.1 | kcal/mol | CIDT | Walker and Sunderlin, 1999 | gas phase; B |
| ΔrH° | 25.6 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrH° | 37.2 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; In serious disagreement with other's values. Source of error not obvious.; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24.5 | cal/mol*K | PHPMS | French, Ikuta, et al., 1982 | gas phase; M |
| ΔrS° | 24.1 | 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 |
| ΔrS° | 39.6 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1971 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 20.1 ± 2.0 | kcal/mol | TDAs | French, Ikuta, et al., 1982 | gas phase; B |
| ΔrG° | 18.4 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrG° | 25.4 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; In serious disagreement with other's values. Source of error not obvious.; B |
( •
) +
= (
• 2
)
By formula: (Cl- • CH2O2) + CH2O2 = (Cl- • 2CH2O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.2 ± 2.1 | kcal/mol | CIDT | Walker and Sunderlin, 1999 | gas phase; B |
| ΔrH° | 34.1 ± 3.1 | kcal/mol | N/A | Luczynski, Wlodek, et al., 1978 | gas phase; Buffer gas: H2. Value too bound based on French, Ikuta, et al., 1982, by Grimsrud fractionation factor ( Williamson, Knighton, et al., 1996).; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 55. | cal/mol*K | HPMS | Luczynski, Wlodek, et al., 1978 | gas phase; Entropy change is questionable; M |
( • 2
) +
= (
• 3
)
By formula: (Cl- • 2CH2O2) + CH2O2 = (Cl- • 3CH2O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 22.2 ± 2.7 | kcal/mol | N/A | Luczynski, Wlodek, et al., 1978 | gas phase; Buffer gas: H2. Value too bound based on French, Ikuta, et al., 1982, by Grimsrud fractionation factor ( Williamson, Knighton, et al., 1996).; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 35. | cal/mol*K | HPMS | Luczynski, Wlodek, et al., 1978 | gas phase; Entropy change is questionable; M |
( • 3
) +
= (
• 4
)
By formula: (Cl- • 3CH2O2) + CH2O2 = (Cl- • 4CH2O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.1 ± 2.2 | kcal/mol | N/A | Luczynski, Wlodek, et al., 1978 | gas phase; Buffer gas: H2. Value too bound based on French, Ikuta, et al., 1982, by Grimsrud fractionation factor ( Williamson, Knighton, et al., 1996).; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20. | cal/mol*K | HPMS | Luczynski, Wlodek, et al., 1978 | gas phase; M |
( • 4
) +
= (
• 5
)
By formula: (Cl- • 4CH2O2) + CH2O2 = (Cl- • 5CH2O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.1 ± 2.0 | kcal/mol | N/A | Luczynski, Wlodek, et al., 1978 | gas phase; Buffer gas: H2. Value too bound based on French, Ikuta, et al., 1982, by Grimsrud fractionation factor ( Williamson, Knighton, et al., 1996).; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 11.5 | cal/mol*K | HPMS | Luczynski, Wlodek, et al., 1978 | gas phase; Entropy change is questionable; M |
+
= (
•
)
By formula: Cl- + CH3Br = (Cl- • CH3Br)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.5 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| ΔrH° | 10.90 ± 0.50 | kcal/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B,M |
| ΔrH° | 12.2 ± 3.0 | kcal/mol | IMRB | Riveros, Breda, et al., 1973 | gas phase; Anchored: Larson and McMahon, 1984, 3; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 12.8 | cal/mol*K | HPMS | Dougherty and Roberts, 1974 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 6.80 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| ΔrG° | 7.1 ± 1.2 | kcal/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B |
+
= (
•
)
By formula: Cl- + CH3Cl = (Cl- • CH3Cl)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.4 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| ΔrH° | 11.7 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
| ΔrH° | 12.2 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrH° | 8.60 ± 0.20 | kcal/mol | TDAs | Dougherty, Dalton, et al., 1974 | gas phase; B,M |
| ΔrH° | 15.2 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.5 | 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 |
| ΔrS° | 15.3 | cal/mol*K | HPMS | Dougherty, Dalton, et al., 1974 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.80 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| ΔrG° | 4.84 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
| ΔrG° | 6.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrG° | 4.10 ± 0.50 | kcal/mol | TDAs | Dougherty, Dalton, et al., 1974 | gas phase; B |
| ΔrG° | 10.8 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B |
+
= (
•
)
By formula: Cl- + CH3F = (Cl- • CH3F)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.5 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.3 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)CH3Cl, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.4 | kcal/mol | ICR | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)CH3Cl, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
+
= (
•
)
By formula: Cl- + CH3F3Si = (Cl- • CH3F3Si)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(t-C4H9OH), Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 9.5 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + CH3I = (Cl- • CH3I)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.80 ± 0.20 | kcal/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 7.3 | cal/mol*K | HPMS | Dougherty and Roberts, 1974 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.0 ± 1.3 | kcal/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B |
+
= (
•
)
By formula: Cl- + CH3NO2 = (Cl- • CH3NO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.60 ± 0.60 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
| ΔrH° | 16.70 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| ΔrH° | 16.3 ± 3.0 | kcal/mol | IMRB | Riveros, Breda, et al., 1973 | gas phase; Anchored: Larson and McMahon, 1984, 3; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 17.1 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 9.20 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
| ΔrG° | 11.60 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (Cl- • CH3NO2) + CH3NO2 = (Cl- • 2CH3NO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.00 ± 0.50 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
| ΔrH° | 13.10 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 18.3 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.70 | kcal/mol | TDAs | Wincel, 2003 | gas phase; B |
| ΔrG° | 7.60 ± 0.30 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
+
= (
•
)
By formula: Cl- + CH4O = (Cl- • CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17. ± 3. | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.6 | cal/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
| ΔrS° | 24.1 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| ΔrS° | 22.0 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| ΔrS° | 22.9 | 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 |
| ΔrS° | 14.8 | cal/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.1 ± 0.8 | kcal/mol | AVG | N/A | Average of 10 values; Individual data points |
( •
) +
= (
• 2
)
By formula: (Cl- • CH4O) + CH4O = (Cl- • 2CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.10 ± 0.40 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 13.70 ± 0.20 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; B,M |
| ΔrH° | 14.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| ΔrH° | 13.00 ± 0.70 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24.2 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| ΔrS° | 22.0 | cal/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
| ΔrS° | 19.4 | cal/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.30 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 7.10 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; B |
| ΔrG° | 6.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrG° | 7.20 ± 0.40 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
( • 2
) +
= (
• 3
)
By formula: (Cl- • 2CH4O) + CH4O = (Cl- • 3CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.50 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 10.80 ± 0.30 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; B,M |
| ΔrH° | 11.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| ΔrH° | 12.30 ± 0.60 | kcal/mol | N/A | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.9 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| ΔrS° | 22.7 | cal/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
| ΔrS° | 23.6 | cal/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.06 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 4.00 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; B |
| ΔrG° | 4.9 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrG° | 5.20 ± 0.30 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
( • 3
) +
= (
• 4
)
By formula: (Cl- • 3CH4O) + CH4O = (Cl- • 4CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| ΔrH° | 10.50 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; B |
| ΔrH° | 11.20 ± 0.60 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.9 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| ΔrS° | 26.4 | cal/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrG° | 3.70 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; B |
| ΔrG° | 3.30 ± 0.20 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
( • 4
) +
= (
• 5
)
By formula: (Cl- • 4CH4O) + CH4O = (Cl- • 5CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| ΔrH° | 10.50 ± 0.50 | kcal/mol | N/A | Yamdagni, Payzant, et al., 1973 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.7 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| ΔrS° | 25.5 | cal/mol*K | PHPMS | Yamdagni, Payzant, et al., 1973 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrG° | 2.90 ± 0.10 | kcal/mol | TDAs | Yamdagni, Payzant, et al., 1973 | gas phase; B |
( • 5
) +
= (
• 6
)
By formula: (Cl- • 5CH4O) + CH4O = (Cl- • 6CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.9 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.2 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 6
) +
= (
• 7
)
By formula: (Cl- • 6CH4O) + CH4O = (Cl- • 7CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.1 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 7
) +
= (
• 8
)
By formula: (Cl- • 7CH4O) + CH4O = (Cl- • 8CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.7 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 8
) +
= (
• 9
)
By formula: (Cl- • 8CH4O) + CH4O = (Cl- • 9CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.6 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.4 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 9
) +
= (
• 10
)
By formula: (Cl- • 9CH4O) + CH4O = (Cl- • 10CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.4 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.1 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.4 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 10
) +
= (
• 11
)
By formula: (Cl- • 10CH4O) + CH4O = (Cl- • 11CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20. | cal/mol*K | N/A | Hiraoka and Mizuse, 1987 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B |
( •
) +
= (
•
•
)
By formula: (Cl- • CH4O) + H2O = (Cl- • H2O • CH4O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.9 | kcal/mol | HPMS | Evans and Keesee, 1991 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 16.9 | cal/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
( • 2
) +
= (
•
• 2
)
By formula: (Cl- • 2CH4O) + H2O = (Cl- • H2O • 2CH4O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.7 | kcal/mol | HPMS | Evans and Keesee, 1991 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 11. | cal/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
( •
•
) +
= (
• 2
•
)
By formula: (Cl- • CH4O • H2O) + CH4O = (Cl- • 2CH4O • H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.8 | kcal/mol | HPMS | Evans and Keesee, 1991 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19. | cal/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
+
= (
•
)
By formula: Cl- + CH4S = (Cl- • CH4S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.5 ± 3.0 | kcal/mol | IMRB | Staneke, Groothuis, et al., 1995 | gas phase; Chloride affinity comparable to that of CHCl3; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.8 ± 3.0 | kcal/mol | IMRB | Staneke, Groothuis, et al., 1995 | gas phase; Chloride affinity comparable to that of CHCl3; B |
+
= CH4Cl-
By formula: Cl- + CH4 = CH4Cl-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 3.80 | kcal/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -2.16 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
+
= (
•
)
By formula: Cl- + CO2 = (Cl- • CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.80 ± 0.50 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B |
| ΔrH° | 7.60 | kcal/mol | TDEq | Hiraoka, Shoda, et al., 1986 | gas phase; B,M |
| ΔrH° | 8.00 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 18.2 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
| ΔrS° | 19.6 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.10 | kcal/mol | TDEq | Hiraoka, Shoda, et al., 1986 | gas phase; B |
| ΔrG° | 2.10 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (Cl- • CO2) + CO2 = (Cl- • 2CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.2 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
| ΔrH° | 7.20 | kcal/mol | TDAs | Hiraoka, Shoda, et al., 1986 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.8 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -1.4 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
| ΔrG° | 1.00 | kcal/mol | TDAs | Hiraoka, Shoda, et al., 1986 | gas phase; B |
( • 2
) +
= (
• 3
)
By formula: (Cl- • 2CO2) + CO2 = (Cl- • 3CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.8 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
| ΔrH° | 6.80 | kcal/mol | TDAs | Hiraoka, Shoda, et al., 1986 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.4 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 0.1 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
| ΔrG° | 0.10 | kcal/mol | TDAs | Hiraoka, Shoda, et al., 1986 | gas phase; B |
( • 3
) +
= (
• 4
)
By formula: (Cl- • 3CO2) + CO2 = (Cl- • 4CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.40 | kcal/mol | TDAs | Hiraoka, Shoda, et al., 1986 | gas phase; entropy estimated.; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24. | cal/mol*K | N/A | Hiraoka, Shoda, et al., 1986 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -0.80 | kcal/mol | TDAs | Hiraoka, Shoda, et al., 1986 | gas phase; entropy estimated.; B |
+
= (
•
)
By formula: Cl- + CS2 = (Cl- • CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.80 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
| ΔrH° | 11.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 13.9 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
| ΔrS° | 20. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 4.6 ± 2.2 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
| ΔrG° | 5.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
( •
) +
= (
• 2
)
By formula: (Cl- • CS2) + CS2 = (Cl- • 2CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.70 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 15.8 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.0 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
( • 2
) +
= (
• 3
)
By formula: (Cl- • 2CS2) + CS2 = (Cl- • 3CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.20 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.3 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 0.8 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
( • 3
) +
= (
• 4
)
By formula: (Cl- • 3CS2) + CS2 = (Cl- • 4CS2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.8 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; Estimated entropy; single temperature measurement; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -0.1 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; Estimated entropy; single temperature measurement; B |
By formula: Cl- + C2ClF3O = (Cl- • C2ClF3O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 11.2 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
By formula: Cl- + C2F4O = (Cl- • C2F4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
+
= C2ClF4-
By formula: Cl- + C2F4 = C2ClF4-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | >10.00 | kcal/mol | TDAs | Hiraoka, Mochizuki, et al., 2008 | gas phase; Entropy estimated. The experimental HOF of C2F4 has been quiestioned as being too positive: Curtiss, Raghavachari, et al., 7374, 11CHA/DEN; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.55 | kcal/mol | TDAs | Hiraoka, Mochizuki, et al., 2008 | gas phase; Entropy estimated. The experimental HOF of C2F4 has been quiestioned as being too positive: Curtiss, Raghavachari, et al., 7374, 11CHA/DEN; B |
+
= (
•
)
By formula: Cl- + C2HF5O = (Cl- • C2HF5O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.50 ± 0.40 | kcal/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 11.3 ± 1.0 | kcal/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
| ΔrG° | 12.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 3 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C2HF5 = (Cl- • C2HF5)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 18.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.3 | 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° | 11.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C2H2F4O = (Cl- • C2H2F4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 28.20 ± 0.40 | kcal/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 18.8 ± 1.0 | kcal/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
| ΔrG° | 17.0 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 3 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C2H3ClO2 = (Cl- • C2H3ClO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B |
By formula: Cl- + C2H3ClO2 = (Cl- • C2H3ClO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.1 | kcal/mol | ICR | 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 |
| ΔrS° | 21.0 | 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° | 7.8 | kcal/mol | ICR | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
+
= (
•
)
By formula: Cl- + C2H3F3O = (Cl- • C2H3F3O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 24.0 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.0 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)CH3COOH, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 16.5 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C2H3F3 = (Cl- • C2H3F3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 18.9 | kcal/mol | ICR | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.0 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 11.4 | kcal/mol | ICR | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
+
= (
•
)
By formula: Cl- + C2H3N = (Cl- • C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15. ± 2. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 15.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| ΔrS° | 15.7 | cal/mol*K | PHPMS | Yamabe, Furumiya, et al., 1986 | gas phase; M |
| ΔrS° | 14.3 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| ΔrS° | 14.3 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
| ΔrS° | 21.4 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.20 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| ΔrG° | 9.2 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B |
| ΔrG° | 8.9 ± 2.6 | kcal/mol | TDAs | Yamabe, Furumiya, et al., 1986 | gas phase; B |
| ΔrG° | 10.10 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
| ΔrG° | 9.2 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (Cl- • C2H3N) + C2H3N = (Cl- • 2C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.50 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B,M |
| ΔrH° | 12.00 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
| ΔrH° | 12.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 16.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| ΔrS° | 18.9 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.6 ± 1.2 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B |
| ΔrG° | 6.60 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
( • 2
) +
= (
• 3
)
By formula: (Cl- • 2C2H3N) + C2H3N = (Cl- • 3C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.20 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B,M |
| ΔrH° | 12.00 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
| ΔrH° | 10.60 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| ΔrS° | 20.1 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.3 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B |
| ΔrG° | 4.60 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
( • 3
) +
= (
• 4
)
By formula: (Cl- • 3C2H3N) + C2H3N = (Cl- • 4C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.90 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B,M |
| ΔrH° | 9.00 ± 0.80 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
| ΔrH° | 6.20 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 26.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| ΔrS° | 10.8 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; Entropy change is questionable; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.9 ± 1.2 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B |
| ΔrG° | 3.00 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
( • 4
) +
= (
• 5
)
By formula: (Cl- • 4C2H3N) + C2H3N = (Cl- • 5C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.80 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B,M |
| ΔrH° | 5.80 ± 0.90 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 27.1 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.70 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B |
( • 5
) +
= (
• 6
)
By formula: (Cl- • 5C2H3N) + C2H3N = (Cl- • 6C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.50 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B,M |
| ΔrH° | 5.8 ± 1.0 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 29.1 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 0.80 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B |
( • 6
) +
= (
• 7
)
By formula: (Cl- • 6C2H3N) + C2H3N = (Cl- • 7C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.40 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B,M |
| ΔrH° | 3.9 ± 1.1 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 30.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 0.2 ± 1.4 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B |
( • 7
) +
= (
• 8
)
By formula: (Cl- • 7C2H3N) + C2H3N = (Cl- • 8C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; Entropy estimated; B,M |
| ΔrH° | 2.8 ± 1.2 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 32. | cal/mol*K | N/A | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; Entropy estimated; B |
( • 8
) +
= (
• 9
)
By formula: (Cl- • 8C2H3N) + C2H3N = (Cl- • 9C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.4 ± 1.4 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
( • 9
) +
= (
• 10
)
By formula: (Cl- • 9C2H3N) + C2H3N = (Cl- • 10C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.1 ± 1.5 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
( • 10
) +
= (
• 11
)
By formula: (Cl- • 10C2H3N) + C2H3N = (Cl- • 11C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1.8 ± 1.6 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
( • 11
) +
= (
• 12
)
By formula: (Cl- • 11C2H3N) + C2H3N = (Cl- • 12C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -0.5 ± 1.7 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
( • 12
) +
= (
• 13
)
By formula: (Cl- • 12C2H3N) + C2H3N = (Cl- • 13C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 0.9 ± 1.8 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
( • 13
) +
= (
• 14
)
By formula: (Cl- • 13C2H3N) + C2H3N = (Cl- • 14C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -0.5 ± 1.9 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
+
= (
•
)
By formula: Cl- + C2H4F2 = (Cl- • C2H4F2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.9 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.7 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C2H4F3N = (Cl- • C2H4F3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 18.0 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24.0 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C2H4O = (Cl- • C2H4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.4 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.7 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)t-C4H9F, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.9 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C2H4O2 = (Cl- • C2H4O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 24.40 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
| ΔrH° | 21.6 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B,M |
| ΔrH° | 23.9 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.6 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| ΔrS° | 24.0 | 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 |
| ΔrS° | 19.3 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1971 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 18.60 ± 0.30 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
| ΔrG° | 15.8 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B |
| ΔrG° | 16.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C2H5Br = (Cl- • C2H5Br)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.6 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 6.92 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
+
= (
•
)
By formula: Cl- + C2H5ClO = (Cl- • C2H5ClO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 21.5 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.0 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)FCH2CH2OH, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 14.0 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C2H5Cl = (Cl- • C2H5Cl)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.4 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| ΔrH° | 14.5 ± 4.5 | kcal/mol | IMRB | Riveros, Breda, et al., 1973 | gas phase; Anchored: Larson and McMahon, 1984, 3; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 6.80 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
+
= (
•
)
By formula: Cl- + C2H5FO = (Cl- • C2H5FO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 20.5 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.0 | 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° | 13.0 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C2H6OS = (Cl- • C2H6OS)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 18.60 | kcal/mol | TDAs | Magnera, Caldwell, et al., 1984 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.4 | cal/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 12.50 | kcal/mol | TDAs | Magnera, Caldwell, et al., 1984 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (Cl- • C2H6OS) + C2H6OS = (Cl- • 2C2H6OS)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.0 | kcal/mol | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.8 | cal/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
( • 2
) +
= (
• 3
)
By formula: (Cl- • 2C2H6OS) + C2H6OS = (Cl- • 3C2H6OS)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.9 | kcal/mol | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 29.8 | cal/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
( • 3
) +
= (
• 4
)
By formula: (Cl- • 3C2H6OS) + C2H6OS = (Cl- • 4C2H6OS)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.6 | kcal/mol | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 37.2 | cal/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
( • 4
) +
= (
• 5
)
By formula: (Cl- • 4C2H6OS) + C2H6OS = (Cl- • 5C2H6OS)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.8 | kcal/mol | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 40.2 | cal/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
+
= (
•
)
By formula: Cl- + C2H6O = (Cl- • C2H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.90 ± 0.40 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 17.60 ± 0.50 | kcal/mol | TDAs | Hiraoka, 1987 | gas phase; B,B,M |
| ΔrH° | 17.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.7 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| ΔrS° | 23.1 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.65 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 10.5 ± 2.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrG° | 10.5 ± 2.0 | kcal/mol | TDAs | Hiraoka, 1987 | gas phase; B |
| ΔrG° | 10.4 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 10.0 | 295. | ICR | Riveros, 1974 | gas phase; switching reaction(Cl-)CH3OH; Riveros, Breda, et al., 1973; M |
( •
) +
= (
• 2
)
By formula: (Cl- • C2H6O) + C2H6O = (Cl- • 2C2H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.30 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 16.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.9 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.34 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 8.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 2
) +
= (
• 3
)
By formula: (Cl- • 2C2H6O) + C2H6O = (Cl- • 3C2H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.90 ± 0.70 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 12.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.8 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.16 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 5.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 3
) +
= (
• 4
)
By formula: (Cl- • 3C2H6O) + C2H6O = (Cl- • 4C2H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 29.5 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 4
) +
= (
• 5
)
By formula: (Cl- • 4C2H6O) + C2H6O = (Cl- • 5C2H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 30.6 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 5
) +
= (
• 6
)
By formula: (Cl- • 5C2H6O) + C2H6O = (Cl- • 6C2H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 31.0 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 6
) +
= (
• 7
)
By formula: (Cl- • 6C2H6O) + C2H6O = (Cl- • 7C2H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 26.9 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 7
) +
= (
• 8
)
By formula: (Cl- • 7C2H6O) + C2H6O = (Cl- • 8C2H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.2 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 8
) +
= (
• 9
)
By formula: (Cl- • 8C2H6O) + C2H6O = (Cl- • 9C2H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25. | cal/mol*K | N/A | Hiraoka and Mizuse, 1987 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B |
( • 9
) +
= (
• 10
)
By formula: (Cl- • 9C2H6O) + C2H6O = (Cl- • 10C2H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.9 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25. | cal/mol*K | N/A | Hiraoka and Mizuse, 1987 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.4 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B |
+
= C2H6ClO-
By formula: Cl- + C2H6O = C2H6ClO-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.50 ± 0.40 | kcal/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.9 ± 1.0 | kcal/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
+
= (
•
)
By formula: Cl- + C2H6O2 = (Cl- • C2H6O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 25.3 ± 1.0 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 16.6 ± 1.0 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (Cl- • C2H6O2) + C2H6O2 = (Cl- • 2C2H6O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.9 ± 1.2 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 9.3 ± 1.0 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
+
= (
•
)
By formula: Cl- + C3F6O = (Cl- • C3F6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 28.8 ± 1.0 | kcal/mol | TDAs | Bofdanov and McMahon, 2002 | gas phase; B |
| ΔrH° | 22.9 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(t-C4H9OH), Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 17.6 ± 1.0 | kcal/mol | TDAs | Bofdanov and McMahon, 2002 | gas phase; B |
| ΔrG° | 16.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
| ΔrG° | 16.3 | kcal/mol | ICR | Larson and McMahon, 1984, 3 | gas phase; switching reaction(Cl-)(C2H5)3B; M |
+
= C3ClF6-
By formula: Cl- + C3F6 = C3ClF6-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.60 ± 0.30 | kcal/mol | TDAs | Hiraoka, Takao, et al., 2002 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.15 ± 0.30 | kcal/mol | TDAs | Hiraoka, Takao, et al., 2002 | gas phase; B |
+
= (
•
)
By formula: Cl- + C3HF5O = (Cl- • C3HF5O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 26.1 ± 1.0 | kcal/mol | TDAs | Bofdanov and McMahon, 2002 | gas phase; B |
| ΔrH° | 23.4 | kcal/mol | ICR | 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 |
| ΔrS° | 23.9 | 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° | 17.2 ± 1.0 | kcal/mol | TDAs | Bofdanov and McMahon, 2002 | gas phase; B |
| ΔrG° | 16.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 3 | gas phase; B,M,M |
+
= (
•
)
By formula: Cl- + C3H2F4O = (Cl- • C3H2F4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 18.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 3 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C3H2F6O = (Cl- • C3H2F6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 26.5 | kcal/mol | ICR | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)(CF3)2CH3COH, Entropy change calculated or estimated, DG>, ΔrH>; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.0 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)(CF3)2CH3COH, Entropy change calculated or estimated, DG>, ΔrH>; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 19.0 | kcal/mol | ICR | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)(CF3)2CH3COH, Entropy change calculated or estimated, DG>, ΔrH>; Larson and McMahon, 1984; M |
+ C3H3F3O- = C2H3ClF3O-
By formula: Cl- + C3H3F3O- = C2H3ClF3O-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.60 ± 0.40 | kcal/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.7 ± 1.0 | kcal/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
+
= C3H3ClF3O-
By formula: Cl- + C3H3F3O = C3H3ClF3O-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.7 ± 1.0 | kcal/mol | TDAs | Bofdanov and McMahon, 2002 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.2 ± 1.0 | kcal/mol | TDAs | Bofdanov and McMahon, 2002 | gas phase; B |
+
= C3H5ClFO-
By formula: Cl- + C3H5FO = C3H5ClFO-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 18.4 ± 1.0 | kcal/mol | TDAs | Bofdanov and McMahon, 2002 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 11.1 ± 1.0 | kcal/mol | TDAs | Bofdanov and McMahon, 2002 | gas phase; B |
+
= (
•
)
By formula: Cl- + C3H6F2O = (Cl- • C3H6F2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 23.6 | kcal/mol | ICR | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)CH3COOH, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.0 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)CH3COOH, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 16.1 | kcal/mol | ICR | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)CH3COOH, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
+
= (
•
)
By formula: Cl- + C3H6O = (Cl- • C3H6O)
| 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 |
( •
) +
= (
• 2
)
By formula: (Cl- • C3H6O) + C3H6O = (Cl- • 2C3H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.5 ± 1.0 | kcal/mol | TDAs | Hiraoka, Takimoto, et al., 1986 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.3 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.4 ± 2.2 | kcal/mol | TDAs | Hiraoka, Takimoto, et al., 1986 | gas phase; B |
( • 2
) +
= (
• 3
)
By formula: (Cl- • 2C3H6O) + C3H6O = (Cl- • 3C3H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.4 ± 2.0 | kcal/mol | TDAs | Hiraoka, Takimoto, et al., 1986 | gas phase; Entropy estimated; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22. | cal/mol*K | N/A | Hiraoka, Takimoto, et al., 1986 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.8 ± 4.5 | kcal/mol | TDAs | Hiraoka, Takimoto, et al., 1986 | gas phase; Entropy estimated; B |
+
= (
•
)
By formula: Cl- + C3H7Br = (Cl- • C3H7Br)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.2 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.52 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
+
= (
•
)
By formula: Cl- + C3H7Br = (Cl- • C3H7Br)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.2 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.24 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
+
= (
•
)
By formula: Cl- + C3H7Cl = (Cl- • C3H7Cl)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.7 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.80 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
+
= (
•
)
By formula: Cl- + C3H8O = (Cl- • C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 19.40 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 18.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| ΔrH° | 17.6 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24.7 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| ΔrS° | 23.2 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 11.32 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 10.90 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrG° | 10.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
( •
) +
= (
• 2
)
By formula: (Cl- • C3H8O) + C3H8O = (Cl- • 2C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.70 ± 0.30 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 15.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.0 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.67 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 8.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 2
) +
= (
• 3
)
By formula: (Cl- • 2C3H8O) + C3H8O = (Cl- • 3C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.90 ± 0.50 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 12.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 26.1 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.30 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 4.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 3
) +
= (
• 4
)
By formula: (Cl- • 3C3H8O) + C3H8O = (Cl- • 4C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.9 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 28.7 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 4
) +
= (
• 5
)
By formula: (Cl- • 4C3H8O) + C3H8O = (Cl- • 5C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 30.5 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.4 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 5
) +
= (
• 6
)
By formula: (Cl- • 5C3H8O) + C3H8O = (Cl- • 6C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 31.1 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 6
) +
= (
• 7
)
By formula: (Cl- • 6C3H8O) + C3H8O = (Cl- • 7C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 31.3 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 7
) +
= (
• 8
)
By formula: (Cl- • 7C3H8O) + C3H8O = (Cl- • 8C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.9 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 31. | cal/mol*K | N/A | Hiraoka and Mizuse, 1987 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B |
+
= (
•
)
By formula: Cl- + C3H8O = (Cl- • C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 20.40 ± 0.50 | kcal/mol | TDAs | Hiraoka, 1987 | gas phase; B,B,M |
| ΔrH° | 17.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 29.0 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| ΔrS° | 23.2 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 11.70 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrG° | 11.7 ± 2.0 | kcal/mol | TDAs | Hiraoka, 1987 | gas phase; B |
| ΔrG° | 10.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
( •
) +
= (
• 2
)
By formula: (Cl- • C3H8O) + C3H8O = (Cl- • 2C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.4 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 2
) +
= (
• 3
)
By formula: (Cl- • 2C3H8O) + C3H8O = (Cl- • 3C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 31.2 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 4.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 3
) +
= (
• 4
)
By formula: (Cl- • 3C3H8O) + C3H8O = (Cl- • 4C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 32.1 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 4
) +
= (
• 5
)
By formula: (Cl- • 4C3H8O) + C3H8O = (Cl- • 5C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 32.9 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 5
) +
= (
• 6
)
By formula: (Cl- • 5C3H8O) + C3H8O = (Cl- • 6C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 31.0 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 6
) +
= (
• 7
)
By formula: (Cl- • 6C3H8O) + C3H8O = (Cl- • 7C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 30.2 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.9 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 7
) +
= (
• 8
)
By formula: (Cl- • 7C3H8O) + C3H8O = (Cl- • 8C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 30. | cal/mol*K | N/A | Hiraoka and Mizuse, 1987 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B |
+ C3H9ClGe = C3H9Cl2Ge-
By formula: Cl- + C3H9ClGe = C3H9Cl2Ge-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 22.2 ± 1.4 | kcal/mol | CIDT | Hao, Kaspar, et al., 2005 | gas phase; B |
+
= C3H9Cl2Si-
By formula: Cl- + C3H9ClSi = C3H9Cl2Si-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.3 ± 1.4 | kcal/mol | CIDT | Hao, Kaspar, et al., 2005 | gas phase; B |
+
= C3H9Cl2Sn-
By formula: Cl- + C3H9ClSn = C3H9Cl2Sn-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 31.3 ± 1.7 | kcal/mol | CIDT | Hao, Kaspar, et al., 2005 | gas phase; B |
By formula: Cl- + C4H4F6O = (Cl- • C4H4F6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 26.5 | kcal/mol | ICR | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)HCOOH, Entropy change calculated or estimated, DG>, ΔrH>; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.0 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)HCOOH, Entropy change calculated or estimated, DG>, ΔrH>; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 19.0 | kcal/mol | ICR | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)HCOOH, Entropy change calculated or estimated, DG>, ΔrH>; Larson and McMahon, 1984; M |
+
= (
•
)
By formula: Cl- + C4H5N = (Cl- • C4H5N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 18.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 11.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B |
| ΔrG° | 14.00 | kcal/mol | TDEq | French, Ikuta, et al., 1982 | gas phase; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 11.6 | 421. | PHPMS | French, Ikuta, et al., 1982 | gas phase; M |
+
= (
•
)
By formula: Cl- + C4H6O2 = (Cl- • C4H6O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 28.9 ± 1.1 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 18.0 ± 1.0 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (Cl- • C4H6O2) + C4H6O2 = (Cl- • 2C4H6O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 22.30 ± 0.70 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 11.9 ± 1.0 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
+
= (
•
)
By formula: Cl- + C4H8O = (Cl- • C4H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.0 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)(CH3)2CO, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.5 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C4H8O2 = (Cl- • C4H8O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 32.9 ± 1.5 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 19.7 ± 1.0 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (Cl- • C4H8O2) + C4H8O2 = (Cl- • 2C4H8O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 22.90 ± 0.40 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 11.7 ± 1.0 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
+
= (
•
)
By formula: Cl- + C4H9Br = (Cl- • C4H9Br)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.7 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.90 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
+
= (
•
)
By formula: Cl- + C4H9Cl = (Cl- • C4H9Cl)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.6 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| ΔrH° | 14.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.2 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)t-C4H9F, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.30 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| ΔrG° | 8.0 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C4H9F = (Cl- • C4H9F)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.8 | 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° | 7.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= C4H10ClO-
By formula: Cl- + C4H10O = C4H10ClO-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.00 ± 0.40 | kcal/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.3 ± 1.0 | kcal/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
+
= (
•
)
By formula: Cl- + C4H10O = (Cl- • C4H10O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.6 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.2 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)CH3OH, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C4H10O = (Cl- • C4H10O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 19. ± 4. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 27.4 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| ΔrS° | 24.0 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
| ΔrS° | 23.4 | cal/mol*K | N/A | Larson and McMahon, 1984 | gas phase; Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
| ΔrS° | 27. | cal/mol*K | PHPMS | Kebarle, 1977 | gas phase; M |
| ΔrS° | 10.3 | cal/mol*K | N/A | Yamdagni and Kebarle, 1971 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 11.58 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 12.30 ± 0.30 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
| ΔrG° | 11.60 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
| ΔrG° | 11.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrG° | 11.1 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1971 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (Cl- • C4H10O) + C4H10O = (Cl- • 2C4H10O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.90 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 14.9 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25.8 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.36 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 7.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 2
) +
= (
• 3
)
By formula: (Cl- • 2C4H10O) + C4H10O = (Cl- • 3C4H10O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.80 ± 0.30 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 13.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 31.0 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.07 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 4.4 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 3
) +
= (
• 4
)
By formula: (Cl- • 3C4H10O) + C4H10O = (Cl- • 4C4H10O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 31.3 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 4
) +
= (
• 5
)
By formula: (Cl- • 4C4H10O) + C4H10O = (Cl- • 5C4H10O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.9 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 32.3 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
( • 5
) +
= (
• 6
)
By formula: (Cl- • 5C4H10O) + C4H10O = (Cl- • 6C4H10O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.4 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 32. | cal/mol*K | N/A | Hiraoka and Mizuse, 1987 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B |
+
= (
•
)
By formula: Cl- + C4H10O2 = (Cl- • C4H10O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 30.2 ± 1.7 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 17.5 ± 1.0 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (Cl- • C4H10O2) + C4H10O2 = (Cl- • 2C4H10O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 21.20 ± 0.80 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.6 ± 1.0 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
+
= C5ClF8-
By formula: Cl- + C5F8 = C5ClF8-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.80 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujita, et al., 1905 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.14 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujita, et al., 1905 | gas phase; B |
+
= (
•
)
By formula: Cl- + C5FeO5 = (Cl- • C5FeO5)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.9 ± 3.0 | kcal/mol | IMRB | Lane, Sallans, et al., 1985 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.9 ± 3.0 | kcal/mol | IMRB | Lane, Sallans, et al., 1985 | gas phase; B |
+
= (
•
)
By formula: Cl- + C5H5N = (Cl- • C5H5N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.7 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 6.8 ± 2.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (Cl- • C5H5N) + C5H5N = (Cl- • 2C5H5N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.7 | kcal/mol | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
+
= (
•
)
By formula: Cl- + C5H6 = (Cl- • C5H6)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | <2.50 | kcal/mol | TDEq | French, Ikuta, et al., 1982 | gas phase; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 2.5 | 300. | PHPMS | French, Ikuta, et al., 1982 | gas phase; DG<; M |
+
= (
•
)
By formula: Cl- + C5H8O2 = (Cl- • C5H8O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 13.40 | kcal/mol | TDEq | French, Ikuta, et al., 1982 | gas phase; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 11.0 | 421. | PHPMS | French, Ikuta, et al., 1982 | gas phase; M |
+
= (
•
)
By formula: Cl- + C5H8 = (Cl- • C5H8)
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 3.7 | 300. | PHPMS | French, Ikuta, et al., 1982 | gas phase; M |
+
= (
•
)
By formula: Cl- + C5H8 = (Cl- • C5H8)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 3.70 | kcal/mol | TDEq | French, Ikuta, et al., 1982 | gas phase; B |
+
= (
•
)
By formula: Cl- + C5H9N = (Cl- • C5H9N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 18.5 ± 1.0 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 11.05 ± 0.20 | kcal/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
+
= (
•
)
By formula: Cl- + C5H10O = (Cl- • C5H10O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.6 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)(CH3)2CO, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.2 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C5H10O = (Cl- • C5H10O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.0 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.9 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.4 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C6F4O2 = (Cl- • C6F4O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 27.0 ± 1.0 | kcal/mol | TDAs | Chowdhury and Kebarle, 1986 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.7 | cal/mol*K | PHPMS | Chowdhury and Kebarle, 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 20.2 ± 1.6 | kcal/mol | TDAs | Chowdhury and Kebarle, 1986 | gas phase; B |
+
= (
•
)
By formula: Cl- + C6F6 = (Cl- • C6F6)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.8 ± 1.0 | kcal/mol | TDAs | Chowdhury and Kebarle, 1986 | gas phase; B,M |
| ΔrH° | 15.5 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.5 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987, 2 | gas phase; M |
| ΔrS° | 26.9 | cal/mol*K | PHPMS | Chowdhury and Kebarle, 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.8 ± 1.6 | kcal/mol | TDAs | Chowdhury and Kebarle, 1986 | gas phase; B |
| ΔrG° | 8.7 ± 1.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987, 2 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (Cl- • C6F6) + C6F6 = (Cl- • 2C6F6)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.8 | kcal/mol | PHPMS | Hiraoka, Mizuse, et al., 1987, 2 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 26.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987, 2 | gas phase; M |
+
= (
•
)
By formula: Cl- + C6H4FNO2 = (Cl- • C6H4FNO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 18.7 ± 1.0 | kcal/mol | TDAs | Chowdhury and Kebarle, 1986 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.2 | cal/mol*K | PHPMS | Chowdhury and Kebarle, 1986 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 12.3 ± 1.6 | kcal/mol | TDAs | Chowdhury and Kebarle, 1986 | gas phase; B |
+
= (
•
)
By formula: Cl- + C6H4F2 = (Cl- • C6H4F2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.6 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)ClCOOCH3, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C6H4F2 = (Cl- • C6H4F2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.6 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.6 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)ClCOOCH3, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| ΔrG° | 7.7 ± 1.0 | kcal/mol | TDEq | French, Ikuta, et al., 1982 | gas phase; B |
+
= (
•
)
By formula: Cl- + C6H4F2 = (Cl- • C6H4F2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.6 | cal/mol*K | N/A | Larson and McMahon, 1984, 2 | gas phase; switching reaction(Cl-)ClCOOCH3, Entropy change calculated or estimated; Larson and McMahon, 1984; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984, 2 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C6H5Br = (Cl- • C6H5Br)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 6.80 | kcal/mol | TDEq | French, Ikuta, et al., 1982 | gas phase; B,M |
+
= (
•
)
By formula: Cl- + C6H5ClO = (Cl- • C6H5ClO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 29.6 ± 2.0 | kcal/mol | TDEq | Cummings, French, et al., 1977 | gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B,M |
| ΔrH° | 30.1 | kcal/mol | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25. | cal/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| ΔrS° | 26.3 | cal/mol*K | N/A | Cummings, French, et al., 1977 | gas phase; switching reaction(Cl-)C6H5OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 22.1 ± 2.0 | kcal/mol | TDEq | Cummings, French, et al., 1977 | gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 19.5 | 423. | PHPMS | Paul and Kebarle, 1990 | gas p |