Methyl Alcohol
- Formula: CH4O
- Molecular weight: 32.0419
- IUPAC Standard InChIKey: OKKJLVBELUTLKV-UHFFFAOYSA-N
- CAS Registry Number: 67-56-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Methanol; Carbinol; Methyl hydroxide; Methylol; Monohydroxymethane; Wood alcohol; CH3OH; Colonial spirit; Columbian spirit; Hydroxymethane; Wood naphtha; Alcool methylique; Alcool metilico; Columbian spirits; Metanolo; Methylalkohol; Metylowy alkohol; Pyroxylic spirit; Wood spirit; Rcra waste number U154; UN 1230; Pyro alcohol; Spirit of wood; Bieleski's solution; NSC 85232
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- Other data available:
- Gas phase thermochemistry data
- Condensed phase thermochemistry data
- Phase change data
- Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 150, reactions 151 to 200, reactions 201 to 250, reactions 251 to 300
- Henry's Law data
- Gas phase ion energetics data
- Ion clustering data
- IR Spectrum
- Mass spectrum (electron ionization)
- Vibrational and/or electronic energy levels
- Gas Chromatography
- Fluid Properties
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Reaction thermochemistry data
Go To: Top, 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
RCD - Robert C. Dunbar
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Reactions 1 to 50
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 |
CH3O- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 382. ± 2. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 376.02 ± 0.62 | kcal/mol | H-TS | Nee, Osterwalder, et al., 2006 | gas phase; B |
ΔrG° | 376.04 ± 0.55 | kcal/mol | H-TS | Osborn, Leahy, et al., 1998 | gas phase; B |
ΔrG° | 374.0 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; The acidity is 1.2 kcal/mol stronger than that from the D-EA cycle, due to the multi-compound fit for the acidity scale.; value altered from reference due to change in acidity scale; B |
ΔrG° | 374.6 ± 2.1 | kcal/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
ΔrG° | 375.10 ± 0.60 | kcal/mol | TDEq | Meot-ner and Sieck, 1986 | gas phase; Experimental entropy: 21.5 eu, 0.6 less than H2O; B |
By formula: CH5O+ + CH4O = (CH5O+ • CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 32.3 | kcal/mol | PHPMS | Szulejko and McMahon, 1992 | gas phase; M |
ΔrH° | 32.1 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; M |
ΔrH° | 33.1 | kcal/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
ΔrH° | 33.7 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O; Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 29.2 | cal/mol*K | PHPMS | Szulejko and McMahon, 1992 | gas phase; M |
ΔrS° | 26.6 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; M |
ΔrS° | 30.5 | cal/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
ΔrS° | 28.5 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O; Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 25.2 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O; Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: CH3O- + CH4O = (CH3O- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.3 ± 1.0 | kcal/mol | TDAs | Paul and Kebarle, 1990 | gas phase; B,M |
ΔrH° | 28.80 ± 0.30 | kcal/mol | TDAs | Meot-ner and Sieck, 1986 | gas phase; B,M |
ΔrH° | 29.4 ± 2.5 | kcal/mol | TDAs | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B |
ΔrH° | 19.0 ± 2.0 | kcal/mol | N/A | Moylan, Dodd, et al., 1985 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.8 | cal/mol*K | PHPMS | Paul and Kebarle, 1990 | gas phase; M |
ΔrS° | 26.7 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 20.30 | kcal/mol | IMRE | Mustanir, Matsuoka, et al., 2006 | gas phase; B |
ΔrG° | 19.8 ± 1.0 | kcal/mol | TDAs | Paul and Kebarle, 1990 | gas phase; B |
ΔrG° | 20.80 ± 0.50 | kcal/mol | TDAs | Meot-ner and Sieck, 1986 | gas phase; B |
ΔrG° | 20.3 ± 1.6 | kcal/mol | TDAs | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
19.1 | 296. | FA | MacKay and Bohme, 1978 | gas phase; From thermochemical cycle,switching reaction(CH3O-)H2O; Meot-Ner(Mautner), 1986; M |
By formula: C4H9O- + CH4O = (C4H9O- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.5 ± 1.0 | kcal/mol | TDEq | Meot-Ner and Sieck, 1986 | gas phase; B,M |
ΔrH° | 23.4 ± 2.2 | kcal/mol | CIDT | DeTuri and Ervin, 1999 | gas phase; B |
ΔrH° | 26.0 ± 2.5 | kcal/mol | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.9 | cal/mol*K | N/A | Meot-Ner and Sieck, 1986 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 29.3 | cal/mol*K | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.20 | kcal/mol | IMRE | Mustanir, Matsuoka, et al., 2006 | gas phase; B |
ΔrG° | 17.1 ± 1.6 | kcal/mol | TDEq | Meot-Ner and Sieck, 1986 | gas phase; B |
ΔrG° | 17.3 ± 1.6 | kcal/mol | IMRE | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; B,M |
By formula: C2H5O- + CH4O = (C2H5O- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.3 ± 2.9 | kcal/mol | IMRE | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M |
ΔrH° | 25.6 ± 1.9 | kcal/mol | CIDT | DeTuri and Ervin, 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.3 | cal/mol*K | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 18.6 ± 2.0 | kcal/mol | IMRE | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
13.4 | 296. | FA | Mackay, Rakshit, et al., 1982 | gas phase; From thermochemical cycle,switching reaction(CH3O-)CH3OH; Caldwell and Kebarle, 1986, Taft, 1983; M |
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 |
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: C8H5- + CH4O = (C8H5- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.5 ± 2.0 | kcal/mol | IMRE | Chabinyc and Brauman, 1999 | gas phase; B |
ΔrH° | 21.4 ± 2.9 | kcal/mol | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.3 | cal/mol*K | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.0 ± 2.0 | kcal/mol | IMRE | Chabinyc and Brauman, 1999 | gas phase; B |
ΔrG° | 12.7 ± 2.0 | kcal/mol | IMRE | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M |
By formula: CN- + CH4O = (CN- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.70 ± 0.80 | kcal/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B,M |
ΔrH° | 16.6 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
ΔrH° | 16.5 ± 3.5 | kcal/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | PHPMS | Larson, Szulejko, et al., 1988 | gas phase; M |
ΔrS° | 24.3 | cal/mol*K | N/A | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.80 ± 0.20 | kcal/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B |
ΔrG° | 10.4 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
ΔrG° | 9.2 ± 2.3 | kcal/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
By formula: Li+ + CH4O = (Li+ • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.8 ± 1.9 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 38.1 | kcal/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H20, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
ΔrH° | 38. | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. | cal/mol*K | N/A | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H20, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 30.3 | kcal/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H20, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
By formula: I- + CH4O = (I- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.90 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 11.3 ± 1.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B,M |
ΔrH° | 11.2 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
ΔrH° | 11. | kcal/mol | PHPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.1 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
ΔrS° | 17.8 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.76 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 6.0 ± 1.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B |
ΔrG° | 5.7 ± 2.0 | kcal/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B |
By formula: C2H5O+ + CH4O = (C2H5O+ • CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.3 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.9 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 22.3 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C2H7O+ + CH4O = (C2H7O+ • CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.6 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.6 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 21.7 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C3H7O- + CH4O = (C3H7O- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.9 ± 2.9 | kcal/mol | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.3 | cal/mol*K | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 18.2 ± 2.0 | kcal/mol | IMRE | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M |
By formula: F- + CH4O = (F- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.6 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas phase; B,M |
ΔrH° | 29.4 ± 2.2 | kcal/mol | CIDT | DeTuri and Ervin, 1999 | gas phase; B |
ΔrH° | 23.3 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.0 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
ΔrS° | 22.6 | cal/mol*K | N/A | Larson and McMahon, 1983 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 22.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas phase; B,M |
ΔrG° | 15.8 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
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 |
By formula: Br- + CH4O = (Br- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.50 ± 0.10 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 13.9 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.6 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.00 ± 0.10 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 8.7 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
ΔrG° | 8.4 ± 2.0 | kcal/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B |
By formula: C3H9Si+ + CH4O = (C3H9Si+ • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.2 | kcal/mol | PHPMS | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.7 | cal/mol*K | N/A | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
25.3 | 468. | PHPMS | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M |
By formula: Na+ + CH4O = (Na+ • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.2 ± 1.3 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 21.9 ± 1.4 | kcal/mol | CIDT | Armentrout and Rodgers, 2000 | RCD |
ΔrH° | 24.0 ± 0.2 | kcal/mol | HPMS | Hoyau, Norrman, et al., 1999 | RCD |
ΔrH° | 26.6 ± 0.2 | kcal/mol | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20500. | cal/mol*K | HPMS | Hoyau, Norrman, et al., 1999 | RCD |
ΔrS° | 24.3 | cal/mol*K | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
17.3 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
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 |
By formula: H2O + C5H12O2 = 2CH4O + C3H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.86 ± 0.01 | kcal/mol | Cm | Wiberg, Morgan, et al., 1994 | liquid phase; ALS |
ΔrH° | 4.88 ± 0.01 | kcal/mol | Cm | Wiberg and Squires, 1979 | liquid phase; Heat of hydrolysis; ALS |
ΔrH° | 4.8836 ± 0.0067 | kcal/mol | Cm | Wiberg and Squires, 1979, 2 | liquid phase; solvent: Water; Hydrolysis; ALS |
ΔrH° | -3.95 ± 0.05 | kcal/mol | Cm | Stern and Dorer, 1962 | liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 3.69 ± 0.05 kcal/mol; Heat of hydrolysis; ALS |
By formula: (CH5O+ • CH4O) + CH4O = (CH5O+ • 2CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 21.0 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; M |
ΔrH° | 21.3 | kcal/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 25.8 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; M |
ΔrS° | 28.2 | cal/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
By formula: C5H11O- + CH4O = (C5H11O- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.7 ± 2.9 | kcal/mol | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.0 ± 2.0 | kcal/mol | IMRE | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B |
By formula: C6H11S2- + CH4O = (C6H11S2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.9 ± 2.5 | kcal/mol | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13.2 ± 1.6 | kcal/mol | IMRE | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B |
By formula: (Cu+ • CH4O) + CH4O = (Cu+ • 2CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.8 | kcal/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.3 | kcal/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
(CH5O+ • 2 • 3) + = (CH5O+ • 3 • 3)
By formula: (CH5O+ • 2H2O • 3CH4O) + H2O = (CH5O+ • 3H2O • 3CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.1 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.1 | 272. | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
(CH5O+ • 3 • 2) + = (CH5O+ • 4 • 2)
By formula: (CH5O+ • 3H2O • 2CH4O) + H2O = (CH5O+ • 4H2O • 2CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.3 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.2 | 272. | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
(CH5O+ • 4 • ) + = (CH5O+ • 5 • )
By formula: (CH5O+ • 4H2O • CH4O) + H2O = (CH5O+ • 5H2O • CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.4 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.5 | 269. | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
By formula: (CH5O+ • H2O) + CH4O = (CH5O+ • CH4O • H2O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.5 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29. | cal/mol*K | N/A | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
11.6 | 452. | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
By formula: C6H5NO2- + CH4O = (C6H5NO2- • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.10 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.1 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.30 ± 0.40 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
ΔrG° | 6.3 ± 1.6 | kcal/mol | IMRE | Chowdhury, Grimsrud, et al., 1987 | gas phase; Free energy affinity at 70°C.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.3 | 343. | PHPMS | Chowdhury, 1987 | gas phase; M |
By formula: Cu+ + CH4O = (Cu+ • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.4 | kcal/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.9 | kcal/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
By formula: (F- • CH4O) + CH4O = (F- • 2CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.30 ± 0.30 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 19.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.2 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12.97 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 12.4 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (F- • 2CH4O) + CH4O = (F- • 3CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.10 ± 0.60 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 14.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.2 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.06 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 8.2 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (Br- • 2CH4O) + CH4O = (Br- • 3CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.50 ± 0.50 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 10.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.6 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.25 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 4.2 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (Br- • CH4O) + CH4O = (Br- • 2CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.00 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 12.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.7 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.62 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 6.3 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (I- • 2CH4O) + CH4O = (I- • 3CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.70 ± 0.60 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 9.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.4 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.41 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 3.1 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
By formula: (I- • CH4O) + CH4O = (I- • 2CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.50 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 11.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.6 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.25 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 4.4 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
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: (Na+ • CH4O) + CH4O = (Na+ • 2CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.5 ± 1.4 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 21.4 ± 1.6 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 20.5 ± 1.6 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 20.2 ± 0.2 | kcal/mol | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.7 | cal/mol*K | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
By formula: H4ClO2- + CH4O + 2H2O = CH8ClO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.40 ± 0.20 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; B |
ΔrH° | 11.40 ± 0.30 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; For solvation by MeOH of core ion; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.80 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; B |
ΔrG° | 6.00 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; For solvation by MeOH of core ion; B |
By formula: (CH5O+ • 2CH4O) + C2H6O = (CH5O+ • C2H6O • 2CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.2 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.6 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
By formula: (CH5O+ • 3CH4O) + C2H6O = (CH5O+ • C2H6O • 3CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.7 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.8 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
By formula: (CH5O+ • 2CH4O) + CH4O = (CH5O+ • 3CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 16.1 | kcal/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 28.9 | cal/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
By formula: (CH5O+ • 3CH4O) + CH4O = (CH5O+ • 4CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 13.5 | kcal/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.3 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 28.7 | cal/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
By formula: (CH5O+ • 4CH4O) + CH4O = (CH5O+ • 5CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 12.5 | kcal/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 31.1 | cal/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
By formula: (CH5O+ • CH4O) + C2H6O = (CH5O+ • C2H6O • CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.9 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.2 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M |
By formula: (CH5O+ • 5CH4O) + CH4O = (CH5O+ • 6CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 11.9 | kcal/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 32.9 | cal/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
By formula: (CH5O+ • 6CH4O) + CH4O = (CH5O+ • 7CH4O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 12.0 | kcal/mol | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.7 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 35.7 | cal/mol*K | PHPMS | Grimsrud and Kebarle, 1973 | gas phase; M |
By formula: (F- • 11CH4O) + CH4O = (F- • 12CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; Entropy estimated.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Hiraoka and Yamabe, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.1 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; Entropy estimated.; B |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Evans and Keesee, 1991
Evans, D.H.; Keesee, R.G.,
Thermodynamics of Gas-Phase Mixed-Solvent Cluster Ions - Water and Methanol on K+ and Cl- and Comparison to Liquid Solutions,
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Hiraoka and Mizuse, 1987
Hiraoka, K.; Mizuse, S.,
Gas-Phase Solvation of Cl- with H2O, CH3OH, C2H4OH, i-C3H7OH, n-C3H7OH, and t-C4H9OH,
Chem. Phys., 1987, 118, 3, 457, https://doi.org/10.1016/0301-0104(87)85078-4
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Sieck, 1985
Sieck, L.W.,
Thermochemistry of Solvation of NO2- and C6H5NO2- by Polar Molecules in the Vapor Phase. Comparison with Cl- and Variation with Ligand Structure.,
J. Phys. Chem., 1985, 89, 25, 5552, https://doi.org/10.1021/j100271a049
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Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B.,
Gas phase negative ion chemistry of alkylchloroformates,
Can. J. Chem., 1984, 62, 675. [all data]
French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P.,
Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-,
Can. J. Chem., 1982, 60, 1907. [all data]
Yamdagni, Payzant, et al., 1973
Yamdagni, R.; Payzant, J.D.; Kebarle, P.,
Solvation of Cl- and O2- with H2O, CH3OH, and CH3CN in the gas phase,
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Nee, Osterwalder, et al., 2006
Nee, M.J.; Osterwalder, A.; Zhou, J.; Neumark, D.M.,
Slow electron velocity-map imaging photoelectron spectra of the methoxide anion,
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Osborn, Leahy, et al., 1998
Osborn, D.L.; Leahy, D.J.; Kim, E.H.; deBeer, E.; Neumark, D.M.,
Photoelectron spectroscopy of CH3O- and CD3O-,
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Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
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Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G.,
The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols,
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Meot-ner and Sieck, 1986
Meot-ner, M.; Sieck, L.W.,
Relative acidities of water and methanol, and the stabilities of the dimer adducts,
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Meot-Ner (Mautner), 1992
Meot-Ner (Mautner), M.,
Intermolecular Forces in Organic Clusters,
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Szulejko and McMahon, 1992
Szulejko, J.; McMahon, T.B.,
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Meot-Ner(Mautner), 1986
Meot-Ner(Mautner), M.,
Comparative Stabilities of Cationic and Anionic Hydrogen-Bonded Networks. Mixed Clusters of Water-Methanol,
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Grimsrud and Kebarle, 1973
Grimsrud, E.P.; Kebarle, P.,
Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding,
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Larson and McMahon, 1982
Larson, J.W.; McMahon, T.B.,
Formation, Thermochemistry, and Relative Stabilities of Proton - Bound dimers of Oxygen n - Donor Bases from Ion Cyclotron Resonance Solvent - Exchange Equilibria Measurements,
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. [all data]
Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D.,
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Keesee and Castleman, 1986
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Paul and Kebarle, 1990
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Thermodynamics of the Association Reactions OH- - H2O = HOHOH- and CH3O- - CH3OH = CH3OHOCH3- in the Gas Phase,
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Anion-alcohol hydrogen bond strengths in the gas phase,
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Moylan, Dodd, et al., 1985
Moylan, C.R.; Dodd, J.A.; Brauman, J.I.,
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Mustanir, Matsuoka, et al., 2006
Mustanir; Matsuoka, M.; Mishima, M.; Koch, H.,
Stability of complexes of phenylacetylides and benzyl alkoxides with methanol in the gas phase. Acid-base correlation in the ionic hydrogen-bond strength,
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MacKay and Bohme, 1978
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Proton-Transfer Reactions in Nitromethane at 297K,
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. [all data]
Meot-Ner and Sieck, 1986
Meot-Ner, M.; Sieck, L.W.,
The ionic hydrogen bond and ion solvation. 5. OH...O- bonds. Gas phase solvation and clustering of alkoxide and carboxylate anions,
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DeTuri and Ervin, 1999
DeTuri, V.F.; Ervin, K.M.,
Competitive threshold collision-induced dissociation: Gas-phase acidities and bond dissociation energies for a series of alcohols,
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. [all data]
Mackay, Rakshit, et al., 1982
Mackay, G.I.; Rakshit, A.B.; Bohme, D.K.,
An Experimental Study of the Reactivity and Relative Basicity of the Methoxide Anion in the Gas Phase at Room Temperature, and their Perturbation by Methanol Solvent,
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Caldwell and Kebarle, 1986
Caldwell, G.; Kebarle, P.,
Mobility of Gaseous Ions in Weak Electric Fields
in Unpublished results, 1986. [all data]
Taft, 1983
Taft, R.W.,
Protonic acidities and basicities in the gas phase and in solution: Substiuent and solvent effects,
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Bogdanov, Peschke, et al., 1999
Bogdanov, B.; Peschke, M.; Tonner, D.S.; Szulejko, J.E.; McMahon, T.B.,
Stepwise solvation of halides by alcohol molecules in the gas phase,
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. [all data]
Chabinyc and Brauman, 1999
Chabinyc, M.L.; Brauman, J.I.,
Hydrogen bond strength and acidity. Structural and energetic correlations for acetylides and alcohols,
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. [all data]
Larson, Szulejko, et al., 1988
Larson, J.W.; Szulejko, J.E.; McMahon, T.B.,
Gas Phase Lewis Acid-Base Interactions. An Experimental Determination of Cyanide Binding Energies From Ion Cyclotron Resonance and High-Pressure Mass Spectrometric Equilibrium Measurements.,
J. Am. Chem. Soc., 1988, 110, 23, 7604, https://doi.org/10.1021/ja00231a004
. [all data]
Meot-ner, 1988
Meot-ner, M.,
Ionic Hydrogen Bond and Ion Solvation. 6. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH3COO- with Cl-, CN-, and SH-,
J. Am. Chem. Soc., 1988, 110, 12, 3854, https://doi.org/10.1021/ja00220a022
. [all data]
Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B.,
Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids,
J. Am. Chem. Soc., 1987, 109, 6230. [all data]
Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P.,
Hydration of CN-, NO2-, NO3-, and HO- in the gas phase,
Can. J. Chem., 1971, 49, 3308. [all data]
Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B.,
Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation,
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. [all data]
Woodin and Beauchamp, 1978
Woodin, R.L.; Beauchamp, J.L.,
Bonding of Li+ to Lewis Bases in the Gas Phase. Reversals in Methyl Substituent Effects for Different Reference Acids,
J. Am. Chem. Soc., 1978, 100, 2, 501, https://doi.org/10.1021/ja00470a024
. [all data]
Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P.,
Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n,
J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013
. [all data]
Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L.,
Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases,
J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050
. [all data]
Caldwell and Kebarle, 1984
Caldwell, G.; Kebarle, P.,
Binding energies and structural effects in halide anion-ROH and -RCOOH complexes from gas phase equilibria measurements,
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Hiraoka and Yamabe, 1991
Hiraoka, K.; Yamabe, S.,
Solvation of Halide Ions with CH3OH in the gas Phase,
Int. J. Mass Spectrom. Ion Proc., 1991, 109, 133, https://doi.org/10.1016/0168-1176(91)85101-Q
. [all data]
Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G.,
Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions,
Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103
. [all data]
Tanabe, Morgon, et al., 1996
Tanabe, F.K.J.; Morgon, N.H.; Riveros, J.M.,
Relative Bromide and Iodide Affinity of Simple Solvent Molecules Determined by FT-ICR,
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Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B.,
Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements,
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Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P.,
Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions,
J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014
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Hiraoka, Mizure, et al., 1988
Hiraoka, K.; Mizure, S.; Yamabe, S.; Nakatsuji, Y.,
Gas Phase Clustering Reactions of CN- and CH2CN- with MeCN,
Chem. Phys. Lett., 1988, 148, 6, 497, https://doi.org/10.1016/0009-2614(88)80320-8
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Wojtyniak and Stone, 1986
Wojtyniak, A.C.M.; Stone, A.J.,
A High-Pressure Mass Spectrometric Study of the Bonding of Trimethylsilylium to Oxygen and Aromatic Bases,
Can. J. Chem., 1986, 74, 59. [all data]
Amicangelo and Armentrout, 2001
Amicangelo, J.C.; Armentrout, P.B.,
Relative and Absolute Bond Dissociation Energies of Sodium Cation Complexes Determined Using Competitive Collision-Induced Dissociation Experiments,
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Armentrout and Rodgers, 2000
Armentrout, P.B.; Rodgers, M.T.,
An Absolute Sodium Cation Affinity Scale: Threshold Collision-Induced Dissociation Experiments and ab Initio Theory,
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Hoyau, Norrman, et al., 1999
Hoyau, S.; Norrman, K.; McMahon, T.B.; Ohanessian, G.,
A Quantitative Basis for a Scale of Na+ Affinities of Organic and Small Biological Molecules in the Gas Phase,
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. [all data]
Guo, Conklin, et al., 1989
Guo, B.C.; Conklin, B.J.; Castleman, A.W.,
Thermochemical Properties of Ion Complexes Na+(M)n in the Gas Phase,
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. [all data]
McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G.,
An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions,
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. [all data]
Wiberg, Morgan, et al., 1994
Wiberg, K.B.; Morgan, K.M.; Maltz, H.,
Thermochemistry of carbonyl reactions. 6. A study of hydration equilibria,
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Wiberg and Squires, 1979
Wiberg, K.B.; Squires, R.R.,
Thermodynamics of hydrolysis aliphatic ketals. An entropy component of steric effects,
J. Am. Chem. Soc., 1979, 101, 5512-5515. [all data]
Wiberg and Squires, 1979, 2
Wiberg, K.B.; Squires, R.R.,
A microprocessor-controlled system for precise measurement of temperature changes. Determination of the enthalpies of hydrolysis of some polyoxygenated hydrocarbons,
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Stern and Dorer, 1962
Stern, J.H.; Dorer, F.H.,
Standard heats of formation of 2,2-Dimethoxypropane (1), and 2,2 -Diethoxypropane (1). Group additivity theory and calculated heats of formation and five ketals,
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Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
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El-Shall, Schriver, et al., 1989
El-Shall, M.S.; Schriver, K.E.; Whetten, R.L.; Meot-Ner (Mautner), M.,
Ion/Molecule Clustering Thermochemistry by Laser Ionization High - Pressure Mass Spectrometry,
J. Phys. Chem., 1989, 93, 24, 7969, https://doi.org/10.1021/j100361a002
. [all data]
Chowdhury, Grimsrud, et al., 1987
Chowdhury, S.; Grimsrud, E.P.; Kebarle, P.,
Bonding of Charged Delocalized Anions to Protic and Dipolar Aprotic Solvent Molecules,
J. Phys. Chem., 1987, 91, 10, 2551, https://doi.org/10.1021/j100294a021
. [all data]
Chowdhury, 1987
Chowdhury, S. Grimsrud,
Bonding of Charge Delocalized Anions to Protic and Dipolar Aprotic Solvents,
J. Phys. Chem., 1987, 91, 10, 2551, https://doi.org/10.1021/j100294a021
. [all data]
Hiraoka, Grimsrud, et al., 1974
Hiraoka, K.; Grimsrud, E.P.; Kebarle, P.,
Gas Phase Ion Equilibria Studies of the Hydrogen Ion in Water - Dimethyl Ether and Methanol - Dimethyl Ether Mixtures,
J. Am. Chem. Soc., 1974, 96, 11, 3359, https://doi.org/10.1021/ja00818a004
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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