Methyl Alcohol

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Reaction thermochemistry data

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, 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

Chlorine anion + Methyl Alcohol = (Chlorine anion • Methyl Alcohol)

By formula: Cl- + CH4O = (Cl- • CH4O)

Quantity Value Units Method Reference Comment
ΔrH°69. ± 10.kJ/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°94.6J/mol*KHPMSEvans and Keesee, 1991gas phase; M
ΔrS°101.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
ΔrS°92.0J/mol*KPHPMSSieck, 1985gas phase; M
ΔrS°95.8J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
ΔrS°61.9J/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrG°42. ± 3.kJ/molAVGN/AAverage of 10 values; Individual data points

CH3O- + Hydrogen cation = Methyl Alcohol

By formula: CH3O- + H+ = CH4O

Quantity Value Units Method Reference Comment
ΔrH°1597. ± 8.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrG°1573.3 ± 2.6kJ/molH-TSNee, Osterwalder, et al., 2006gas phase; B
ΔrG°1573.4 ± 2.3kJ/molH-TSOsborn, Leahy, et al., 1998gas phase; B
ΔrG°1565. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas 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°1567. ± 8.8kJ/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
ΔrG°1569.4 ± 2.5kJ/molTDEqMeot-ner and Sieck, 1986gas phase; Experimental entropy: 21.5 eu, 0.6 less than H2O; B

CH5O+ + Methyl Alcohol = (CH5O+ • Methyl Alcohol)

By formula: CH5O+ + CH4O = (CH5O+ • CH4O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
ΔrH°136.kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°135.kJ/molPHPMSSzulejko and McMahon, 1992gas phase; M
ΔrH°134.kJ/molPHPMSMeot-Ner(Mautner), 1986gas phase; M
ΔrH°138.kJ/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
ΔrH°141.kJ/molICRLarson and McMahon, 1982gas 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°121.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°122.J/mol*KPHPMSSzulejko and McMahon, 1992gas phase; M
ΔrS°111.J/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; M
ΔrS°128.J/mol*KPHPMSGrimsrud and Kebarle, 1973gas phase; M
ΔrS°119.J/mol*KN/ALarson and McMahon, 1982gas 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°105.kJ/molICRLarson and McMahon, 1982gas 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

CH3O- + Methyl Alcohol = (CH3O- • Methyl Alcohol)

By formula: CH3O- + CH4O = (CH3O- • CH4O)

Quantity Value Units Method Reference Comment
ΔrH°123. ± 4.2kJ/molTDAsPaul and Kebarle, 1990gas phase; B,M
ΔrH°120.5 ± 1.3kJ/molTDAsMeot-ner and Sieck, 1986gas phase; B,M
ΔrH°123. ± 10.kJ/molTDAsCaldwell, Rozeboom, et al., 1984gas 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°79.5 ± 8.4kJ/molN/AMoylan, Dodd, et al., 1985gas phase; B
Quantity Value Units Method Reference Comment
ΔrS°133.J/mol*KPHPMSPaul and Kebarle, 1990gas phase; M
ΔrS°112.J/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
ΔrG°84.94kJ/molIMREMustanir, Matsuoka, et al., 2006gas phase; B
ΔrG°82.8 ± 4.2kJ/molTDAsPaul and Kebarle, 1990gas phase; B
ΔrG°87.0 ± 2.1kJ/molTDAsMeot-ner and Sieck, 1986gas phase; B
ΔrG°84.9 ± 6.7kJ/molTDAsCaldwell, Rozeboom, et al., 1984gas 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° (kJ/mol) T (K) Method Reference Comment
79.9296.FAMacKay and Bohme, 1978gas phase; From thermochemical cycle,switching reaction(CH3O-)H2O; Meot-Ner(Mautner), 1986; M

C4H9O- + Methyl Alcohol = (C4H9O- • Methyl Alcohol)

By formula: C4H9O- + CH4O = (C4H9O- • CH4O)

Quantity Value Units Method Reference Comment
ΔrH°107. ± 4.2kJ/molTDEqMeot-Ner and Sieck, 1986gas phase; B,M
ΔrH°97.9 ± 9.2kJ/molCIDTDeTuri and Ervin, 1999gas phase; B
ΔrH°109. ± 10.kJ/molN/ACaldwell, Rozeboom, et al., 1984gas 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°117.J/mol*KN/AMeot-Ner and Sieck, 1986gas phase; Entropy change calculated or estimated; M
ΔrS°123.J/mol*KN/ACaldwell, Rozeboom, et al., 1984gas 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°42.68kJ/molIMREMustanir, Matsuoka, et al., 2006gas phase; B
ΔrG°71.5 ± 6.7kJ/molTDEqMeot-Ner and Sieck, 1986gas phase; B
ΔrG°72.4 ± 6.7kJ/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; B,M

C2H5O- + Methyl Alcohol = (C2H5O- • Methyl Alcohol)

By formula: C2H5O- + CH4O = (C2H5O- • CH4O)

Quantity Value Units Method Reference Comment
ΔrH°114. ± 12.kJ/molIMRECaldwell, Rozeboom, et al., 1984gas 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°107. ± 7.9kJ/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrS°123.J/mol*KN/ACaldwell, Rozeboom, et al., 1984gas 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°77.8 ± 8.4kJ/molIMRECaldwell, Rozeboom, et al., 1984gas 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° (kJ/mol) T (K) Method Reference Comment
56.1296.FAMackay, Rakshit, et al., 1982gas phase; From thermochemical cycle,switching reaction(CH3O-)CH3OH; Caldwell and Kebarle, 1986, Taft, 1983; M

(Chlorine anion • Methyl Alcohol) + Methyl Alcohol = (Chlorine anion • 2Methyl Alcohol)

By formula: (Cl- • CH4O) + CH4O = (Cl- • 2CH4O)

Quantity Value Units Method Reference Comment
ΔrH°59.0 ± 1.7kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°57.32 ± 0.84kJ/molTDAsEvans and Keesee, 1991gas phase; B,M
ΔrH°59.0 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
ΔrH°54.4 ± 2.9kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°101.J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
ΔrS°92.0J/mol*KHPMSEvans and Keesee, 1991gas phase; M
ΔrS°81.2J/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°30.5kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°29.7kJ/molTDAsEvans and Keesee, 1991gas phase; B
ΔrG°28. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
ΔrG°30.1 ± 1.7kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

(Chlorine anion • 2Methyl Alcohol) + Methyl Alcohol = (Chlorine anion • 3Methyl Alcohol)

By formula: (Cl- • 2CH4O) + CH4O = (Cl- • 3CH4O)

Quantity Value Units Method Reference Comment
ΔrH°48.12 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°45.2 ± 1.3kJ/molTDAsEvans and Keesee, 1991gas phase; B,M
ΔrH°49.4 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
ΔrH°51.5 ± 2.5kJ/molN/AYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°95.8J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
ΔrS°95.0J/mol*KHPMSEvans and Keesee, 1991gas phase; M
ΔrS°98.7J/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°21.2kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°16.7kJ/molTDAsEvans and Keesee, 1991gas phase; B
ΔrG°21. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
ΔrG°21.8 ± 1.3kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

C8H5- + Methyl Alcohol = (C8H5- • Methyl Alcohol)

By formula: C8H5- + CH4O = (C8H5- • CH4O)

Quantity Value Units Method Reference Comment
ΔrH°90.0 ± 8.4kJ/molIMREChabinyc and Brauman, 1999gas phase; B
ΔrH°90. ± 12.kJ/molN/ACaldwell, Rozeboom, et al., 1984gas 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°123.J/mol*KN/ACaldwell, Rozeboom, et al., 1984gas 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°46.0 ± 8.4kJ/molIMREChabinyc and Brauman, 1999gas phase; B
ΔrG°53.1 ± 8.4kJ/molIMRECaldwell, Rozeboom, et al., 1984gas 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

CN- + Methyl Alcohol = (CN- • Methyl Alcohol)

By formula: CN- + CH4O = (CN- • CH4O)

Quantity Value Units Method Reference Comment
ΔrH°65.7 ± 3.3kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
ΔrH°69.5 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B
ΔrH°69. ± 15.kJ/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°96.J/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
ΔrS°102.J/mol*KN/ALarson and McMahon, 1987gas 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°36.8 ± 0.84kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B
ΔrG°43.5 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B
ΔrG°38. ± 9.6kJ/molIMRELarson and McMahon, 1987gas phase; B,M

Lithium ion (1+) + Methyl Alcohol = (Lithium ion (1+) • Methyl Alcohol)

By formula: Li+ + CH4O = (Li+ • CH4O)

Quantity Value Units Method Reference Comment
ΔrH°154. ± 7.9kJ/molCIDTRodgers and Armentrout, 2000RCD
ΔrH°159.kJ/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H20, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M
ΔrH°160.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
ΔrS°110.J/mol*KN/AWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H20, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M
Quantity Value Units Method Reference Comment
ΔrG°127.kJ/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H20, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M

Iodide + Methyl Alcohol = (Iodide • Methyl Alcohol)

By formula: I- + CH4O = (I- • CH4O)

Quantity Value Units Method Reference Comment
ΔrH°49.79 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°47.3 ± 4.2kJ/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
ΔrH°46.9kJ/molPHPMSHiraoka and Yamabe, 1991gas phase; M
ΔrH°46.kJ/molPHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°71.5J/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
ΔrS°74.5J/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°24.1kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°25. ± 4.2kJ/molTDAsCaldwell and Kebarle, 1984gas phase; B
ΔrG°24. ± 8.4kJ/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B

C2H5O+ + Methyl Alcohol = (C2H5O+ • Methyl Alcohol)

By formula: C2H5O+ + CH4O = (C2H5O+ • CH4O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
ΔrH°127.kJ/molICRLarson and McMahon, 1982gas 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°113.J/mol*KN/ALarson and McMahon, 1982gas 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°93.3kJ/molICRLarson and McMahon, 1982gas 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

C2H7O+ + Methyl Alcohol = (C2H7O+ • Methyl Alcohol)

By formula: C2H7O+ + CH4O = (C2H7O+ • CH4O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
ΔrH°124.kJ/molICRLarson and McMahon, 1982gas 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°111.J/mol*KN/ALarson and McMahon, 1982gas 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°90.8kJ/molICRLarson and McMahon, 1982gas 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

C3H7O- + Methyl Alcohol = (C3H7O- • Methyl Alcohol)

By formula: C3H7O- + CH4O = (C3H7O- • CH4O)

Quantity Value Units Method Reference Comment
ΔrH°113. ± 12.kJ/molN/ACaldwell, Rozeboom, et al., 1984gas 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°123.J/mol*KN/ACaldwell, Rozeboom, et al., 1984gas 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°76.1 ± 8.4kJ/molIMRECaldwell, Rozeboom, et al., 1984gas 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

Fluorine anion + Methyl Alcohol = (Fluorine anion • Methyl Alcohol)

By formula: F- + CH4O = (F- • CH4O)

Quantity Value Units Method Reference Comment
ΔrH°124. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B,M
ΔrH°123. ± 9.2kJ/molCIDTDeTuri and Ervin, 1999gas phase; B
ΔrH°97.5 ± 8.4kJ/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°105.J/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
ΔrS°94.6J/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
ΔrG°95.4 ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B,M
ΔrG°66.1 ± 8.4kJ/molTDAsHiraoka and Yamabe, 1991gas phase; B

(Chlorine anion • 3Methyl Alcohol) + Methyl Alcohol = (Chlorine anion • 4Methyl Alcohol)

By formula: (Cl- • 3CH4O) + CH4O = (Cl- • 4CH4O)

Quantity Value Units Method Reference Comment
ΔrH°43.9 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
ΔrH°43.93kJ/molTDAsEvans and Keesee, 1991gas phase; B
ΔrH°46.9 ± 2.5kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°95.8J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
ΔrS°110.J/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°15. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
ΔrG°15.5kJ/molTDAsEvans and Keesee, 1991gas phase; B
ΔrG°13.8 ± 0.84kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

Bromine anion + Methyl Alcohol = (Bromine anion • Methyl Alcohol)

By formula: Br- + CH4O = (Br- • CH4O)

Quantity Value Units Method Reference Comment
ΔrH°60.67 ± 0.42kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°58.2 ± 4.2kJ/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°73.6J/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°33.5 ± 0.42kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°36. ± 8.4kJ/molTDAsHiraoka and Yamabe, 1991gas phase; B
ΔrG°35. ± 8.4kJ/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

C3H9Si+ + Methyl Alcohol = (C3H9Si+ • Methyl Alcohol)

By formula: C3H9Si+ + CH4O = (C3H9Si+ • CH4O)

Quantity Value Units Method Reference Comment
ΔrH°164.kJ/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°124.J/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
106.468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

Sodium ion (1+) + Methyl Alcohol = (Sodium ion (1+) • Methyl Alcohol)

By formula: Na+ + CH4O = (Na+ • CH4O)

Quantity Value Units Method Reference Comment
ΔrH°97.1 ± 5.4kJ/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
ΔrH°91.6 ± 5.9kJ/molCIDTArmentrout and Rodgers, 2000RCD
ΔrH°100. ± 0.8kJ/molHPMSHoyau, Norrman, et al., 1999RCD
ΔrH°111. ± 0.8kJ/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°85800.J/mol*KHPMSHoyau, Norrman, et al., 1999RCD
ΔrS°102.J/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
72.4298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

(Chlorine anion • 4Methyl Alcohol) + Methyl Alcohol = (Chlorine anion • 5Methyl Alcohol)

By formula: (Cl- • 4CH4O) + CH4O = (Cl- • 5CH4O)

Quantity Value Units Method Reference Comment
ΔrH°38. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
ΔrH°43.9 ± 2.1kJ/molN/AYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°90.8J/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
ΔrS°107.J/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°11. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
ΔrG°12.1 ± 0.42kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

Water + Propane, 2,2-dimethoxy- = 2Methyl Alcohol + Acetone

By formula: H2O + C5H12O2 = 2CH4O + C3H6O

Quantity Value Units Method Reference Comment
ΔrH°20.3 ± 0.04kJ/molCmWiberg, Morgan, et al., 1994liquid phase; ALS
ΔrH°20.43 ± 0.04kJ/molCmWiberg and Squires, 1979liquid phase; Heat of hydrolysis; ALS
ΔrH°20.433 ± 0.028kJ/molCmWiberg and Squires, 1979, 2liquid phase; solvent: Water; Hydrolysis; ALS
ΔrH°-16.5 ± 0.2kJ/molCmStern and Dorer, 1962liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 15.4 ± 0.2 kJ/mol; Heat of hydrolysis; ALS

(CH5O+ • Methyl Alcohol) + Methyl Alcohol = (CH5O+ • 2Methyl Alcohol)

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°88.7kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°87.9kJ/molPHPMSMeot-Ner(Mautner), 1986gas phase; M
ΔrH°89.1kJ/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°113.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°108.J/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; M
ΔrS°118.J/mol*KPHPMSGrimsrud and Kebarle, 1973gas phase; M

C5H11O- + Methyl Alcohol = (C5H11O- • Methyl Alcohol)

By formula: C5H11O- + CH4O = (C5H11O- • CH4O)

Quantity Value Units Method Reference Comment
ΔrH°108. ± 12.kJ/molN/ACaldwell, Rozeboom, et al., 1984gas 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°71.1 ± 8.4kJ/molIMRECaldwell, Rozeboom, et al., 1984gas 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

C6H11S2- + Methyl Alcohol = (C6H11S2- • Methyl Alcohol)

By formula: C6H11S2- + CH4O = (C6H11S2- • CH4O)

Quantity Value Units Method Reference Comment
ΔrH°92. ± 10.kJ/molN/ACaldwell, Rozeboom, et al., 1984gas 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°55.2 ± 6.7kJ/molIMRECaldwell, Rozeboom, et al., 1984gas 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

(Copper ion (1+) • Methyl Alcohol) + Methyl Alcohol = (Copper ion (1+) • 2Methyl Alcohol)

By formula: (Cu+ • CH4O) + CH4O = (Cu+ • 2CH4O)

Quantity Value Units Method Reference Comment
ΔrH°57.7kJ/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
ΔrS°100.J/mol*KN/AEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
ΔrG°26.kJ/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M

(CH5O+ • 2Water • 3Methyl Alcohol) + Water = (CH5O+ • 3Water • 3Methyl Alcohol)

By formula: (CH5O+ • 2H2O • 3CH4O) + H2O = (CH5O+ • 3H2O • 3CH4O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°38.kJ/molPHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/AMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.272.PHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M

(CH5O+ • 3Water • 2Methyl Alcohol) + Water = (CH5O+ • 4Water • 2Methyl Alcohol)

By formula: (CH5O+ • 3H2O • 2CH4O) + H2O = (CH5O+ • 4H2O • 2CH4O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°39.kJ/molPHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/AMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.272.PHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M

(CH5O+ • 4Water • Methyl Alcohol) + Water = (CH5O+ • 5Water • Methyl Alcohol)

By formula: (CH5O+ • 4H2O • CH4O) + H2O = (CH5O+ • 5H2O • CH4O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°39.kJ/molPHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°92.J/mol*KN/AMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
15.269.PHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M

(CH5O+ • Water) + Methyl Alcohol = (CH5O+ • Methyl Alcohol • Water)

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°103.kJ/molPHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°120.J/mol*KN/AMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
48.5452.PHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M

C6H5NO2- + Methyl Alcohol = (C6H5NO2- • Methyl Alcohol)

By formula: C6H5NO2- + CH4O = (C6H5NO2- • CH4O)

Quantity Value Units Method Reference Comment
ΔrH°63.18 ± 0.84kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°109.J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°30.5 ± 1.7kJ/molTDAsSieck, 1985gas phase; B
ΔrG°26. ± 6.7kJ/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
26.343.PHPMSChowdhury, 1987gas phase; M

Copper ion (1+) + Methyl Alcohol = (Copper ion (1+) • Methyl Alcohol)

By formula: Cu+ + CH4O = (Cu+ • CH4O)

Quantity Value Units Method Reference Comment
ΔrH°56.1kJ/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
ΔrS°100.J/mol*KN/AEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
ΔrG°25.kJ/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M

(Fluorine anion • Methyl Alcohol) + Methyl Alcohol = (Fluorine anion • 2Methyl Alcohol)

By formula: (F- • CH4O) + CH4O = (F- • 2CH4O)

Quantity Value Units Method Reference Comment
ΔrH°84.9 ± 1.3kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°80.8 ± 4.2kJ/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°97.1J/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°54.27kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°51.9 ± 8.4kJ/molTDAsHiraoka and Yamabe, 1991gas phase; B

(Fluorine anion • 2Methyl Alcohol) + Methyl Alcohol = (Fluorine anion • 3Methyl Alcohol)

By formula: (F- • 2CH4O) + CH4O = (F- • 3CH4O)

Quantity Value Units Method Reference Comment
ΔrH°63.2 ± 2.5kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°60.7 ± 4.2kJ/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°88.7J/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°33.7kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°34. ± 8.4kJ/molTDAsHiraoka and Yamabe, 1991gas phase; B

(Bromine anion • 2Methyl Alcohol) + Methyl Alcohol = (Bromine anion • 3Methyl Alcohol)

By formula: (Br- • 2CH4O) + CH4O = (Br- • 3CH4O)

Quantity Value Units Method Reference Comment
ΔrH°39.7 ± 2.1kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°44.4 ± 4.2kJ/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°90.4J/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°17.8kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°18. ± 8.4kJ/molTDAsHiraoka and Yamabe, 1991gas phase; B

(Bromine anion • Methyl Alcohol) + Methyl Alcohol = (Bromine anion • 2Methyl Alcohol)

By formula: (Br- • CH4O) + CH4O = (Br- • 2CH4O)

Quantity Value Units Method Reference Comment
ΔrH°50.21 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°52.3 ± 4.2kJ/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°86.6J/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°23.5kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°26. ± 8.4kJ/molTDAsHiraoka and Yamabe, 1991gas phase; B

(Iodide • 2Methyl Alcohol) + Methyl Alcohol = (Iodide • 3Methyl Alcohol)

By formula: (I- • 2CH4O) + CH4O = (I- • 3CH4O)

Quantity Value Units Method Reference Comment
ΔrH°32.2 ± 2.5kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°41. ± 4.2kJ/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°93.7J/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°14.3kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°13. ± 8.4kJ/molTDAsHiraoka and Yamabe, 1991gas phase; B

(Iodide • Methyl Alcohol) + Methyl Alcohol = (Iodide • 2Methyl Alcohol)

By formula: (I- • CH4O) + CH4O = (I- • 2CH4O)

Quantity Value Units Method Reference Comment
ΔrH°39.7 ± 0.84kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°46.4 ± 4.2kJ/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°94.6J/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°17.8kJ/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°18. ± 8.4kJ/molTDAsHiraoka and Yamabe, 1991gas phase; B

(Chlorine anion • 10Methyl Alcohol) + Methyl Alcohol = (Chlorine anion • 11Methyl Alcohol)

By formula: (Cl- • 10CH4O) + CH4O = (Cl- • 11CH4O)

Quantity Value Units Method Reference Comment
ΔrH°31. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
ΔrS°84.J/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°5.4 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

(Sodium ion (1+) • Methyl Alcohol) + Methyl Alcohol = (Sodium ion (1+) • 2Methyl Alcohol)

By formula: (Na+ • CH4O) + CH4O = (Na+ • 2CH4O)

Quantity Value Units Method Reference Comment
ΔrH°85.8 ± 5.9kJ/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
ΔrH°89.5 ± 6.7kJ/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
ΔrH°85.8 ± 6.7kJ/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
ΔrH°84.5 ± 0.8kJ/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°90.8J/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

H4ClO2- + Methyl Alcohol + 2Water = CH8ClO3-

By formula: H4ClO2- + CH4O + 2H2O = CH8ClO3-

Quantity Value Units Method Reference Comment
ΔrH°43.51 ± 0.84kJ/molTDAsEvans and Keesee, 1991gas phase; B
ΔrH°47.7 ± 1.3kJ/molTDAsEvans and Keesee, 1991gas phase; For solvation by MeOH of core ion; B
Quantity Value Units Method Reference Comment
ΔrG°24.3kJ/molTDAsEvans and Keesee, 1991gas phase; B
ΔrG°25.1kJ/molTDAsEvans and Keesee, 1991gas phase; For solvation by MeOH of core ion; B

(CH5O+ • 2Methyl Alcohol) + Dimethyl ether = (CH5O+ • Dimethyl ether • 2Methyl Alcohol)

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°72.0kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M
Quantity Value Units Method Reference Comment
ΔrS°120.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M

(CH5O+ • 3Methyl Alcohol) + Dimethyl ether = (CH5O+ • Dimethyl ether • 3Methyl Alcohol)

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°57.3kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M
Quantity Value Units Method Reference Comment
ΔrS°129.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M

(CH5O+ • 2Methyl Alcohol) + Methyl Alcohol = (CH5O+ • 3Methyl Alcohol)

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°58.6kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°67.4kJ/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°100.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°121.J/mol*KPHPMSGrimsrud and Kebarle, 1973gas phase; M

(CH5O+ • 3Methyl Alcohol) + Methyl Alcohol = (CH5O+ • 4Methyl Alcohol)

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°47.3kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°56.5kJ/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°93.3J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°120.J/mol*KPHPMSGrimsrud and Kebarle, 1973gas phase; M

(CH5O+ • 4Methyl Alcohol) + Methyl Alcohol = (CH5O+ • 5Methyl Alcohol)

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°42.7kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°52.3kJ/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°98.3J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°130.J/mol*KPHPMSGrimsrud and Kebarle, 1973gas phase; M

(CH5O+ • Methyl Alcohol) + Dimethyl ether = (CH5O+ • Dimethyl ether • Methyl Alcohol)

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°91.6kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M
Quantity Value Units Method Reference Comment
ΔrS°105.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M

(CH5O+ • 5Methyl Alcohol) + Methyl Alcohol = (CH5O+ • 6Methyl Alcohol)

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°39.kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°49.8kJ/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°98.3J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°138.J/mol*KPHPMSGrimsrud and Kebarle, 1973gas phase; M

(CH5O+ • 6Methyl Alcohol) + Methyl Alcohol = (CH5O+ • 7Methyl Alcohol)

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°38.kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°50.2kJ/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°108.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°149.J/mol*KPHPMSGrimsrud and Kebarle, 1973gas phase; M

(Fluorine anion • 11Methyl Alcohol) + Methyl Alcohol = (Fluorine anion • 12Methyl Alcohol)

By formula: (F- • 11CH4O) + CH4O = (F- • 12CH4O)

Quantity Value Units Method Reference Comment
ΔrH°36. ± 4.2kJ/molTDAsHiraoka and Yamabe, 1991gas phase; Entropy estimated.; B,M
Quantity Value Units Method Reference Comment
ΔrS°100.J/mol*KN/AHiraoka and Yamabe, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°4.6 ± 8.4kJ/molTDAsHiraoka and Yamabe, 1991gas phase; Entropy estimated.; B

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to CH4O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.84 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)754.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity724.5kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.85 ± 0.03PITao, Klemm, et al., 1992LL
10.82 ± 0.05EIHolmes and Lossing, 1991LL
10.84 ± 0.07EIBowen and Maccoll, 1984LBLHLM
10.9EIMishchanchuk, Pokrovskii, et al., 1982LBLHLM
10.84 ± 0.08EIAllam, Migahed, et al., 1982LBLHLM
10.90 ± 0.03EISahini, Constantin, et al., 1978LLK
10.85 ± 0.01PIBerkowitz, 1978LLK
10.846 ± 0.002PEMacNeil and Dixon, 1977LLK
10.90 ± 0.12EIFinney and Harrison, 1972LLK
10.83 ± 0.03PIWarneck, 1971LLK
10.85 ± 0.02PECocksey, Eland, et al., 1971LLK
10.85PEBaker, Betteridge, et al., 1971LLK
10.85PEBaker, Betteridge, et al., 1971LLK
10.829 ± 0.015PIOmura, Kaneko, et al., 1969RDSH
10.85EILifshitz, Shapiro, et al., 1969RDSH
10.83PEDewar and Worley, 1969RDSH
10.84 ± 0.02PIRefaey and Chupka, 1968RDSH
10.85CICermak, 1968RDSH
10.83PEAl-Joboury and Turner, 1964RDSH
10.85 ± 0.02PIWatanabe, 1954RDSH
10.96EIVorob'ev, Furlei, et al., 1989Vertical value; LL
11.0PEVon Niessen, Bieri, et al., 1980Vertical value; LLK
10.95PEUtsunomiya, Kobayashi, et al., 1980Vertical value; LLK
10.95PEKobayashi, 1978Vertical value; LLK
10.86PEBenoit and Harrison, 1977Vertical value; LLK
10.97 ± 0.03PEPeel and Willett, 1975Vertical value; LLK
10.96PERobin and Kuebler, 1973Vertical value; LLK
10.95PEOgata, Onizuka, et al., 1973Vertical value; LLK
10.94PEKatsumata, Iwai, et al., 1973Vertical value; LLK
10.95PEOgata, Onizuka, et al., 1972Vertical value; LLK
10.96PEBaker, Betteridge, et al., 1971Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH+22.31 ± 0.09?EIReed and Snedden, 1956RDSH
CHO+13.06 ± 0.10H2+HPIWarneck, 1971LLK
CHO+14.0 ± 0.2H2+HEILifshitz, Shapiro, et al., 1969RDSH
CH2+14.05 ± 0.05H2OPIWarneck, 1971LLK
CH2+15.3H2OEIHaney and Franklin, 1968RDSH
CH2O+10.9H2EIMishchanchuk, Pokrovskii, et al., 1982LBLHLM
CH2O+12.05 ± 0.12H2PIWarneck, 1971LLK
CH2O+12.45H2PIRefaey and Chupka, 1968RDSH
CH3+13.82 ± 0.04OHPIWarneck, 1971LLK
CH3+13.5OHEIFriedman, Long, et al., 1957RDSH
CH3O+11.67 ± 0.09HEIBowen and Maccoll, 1984LBLHLM
CH3O+10.4HEIMishchanchuk, Pokrovskii, et al., 1982LBLHLM
CH3O+11.85 ± 0.08HEIAllam, Migahed, et al., 1982LBLHLM
CH3O+11.88 ± 0.05HEISelim and Helal, 1981LLK
CH3O+11.69HEILossing, 1977LLK
CH3O+11.76 ± 0.11HEIFinney and Harrison, 1972LLK
CH3O+11.55 ± 0.03HPIWarneck, 1971LLK
CH3O+11.66 ± 0.04HPIOmura, Kaneko, et al., 1969RDSH
CH3O+11.67HEILifshitz, Shapiro, et al., 1969RDSH
CH3O+11.67 ± 0.03HPIRefaey and Chupka, 1968RDSH
CH3O+[CH2OH+]11.649 ± 0.003HPIBerkowitz, Ellison, et al., 1994Unpublished results of B. Ruscic and J. Berkowitz; LL
CO+13.72H2EIFriedman, Long, et al., 1957RDSH
CO+14.31 ± 0.052H2EIFriedland and Strakna, 1956RDSH

De-protonation reactions

CH3O- + Hydrogen cation = Methyl Alcohol

By formula: CH3O- + H+ = CH4O

Quantity Value Units Method Reference Comment
ΔrH°1597. ± 8.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrG°1573.3 ± 2.6kJ/molH-TSNee, Osterwalder, et al., 2006gas phase; B
ΔrG°1573.4 ± 2.3kJ/molH-TSOsborn, Leahy, et al., 1998gas phase; B
ΔrG°1565. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas 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°1567. ± 8.8kJ/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
ΔrG°1569.4 ± 2.5kJ/molTDEqMeot-ner and Sieck, 1986gas phase; Experimental entropy: 21.5 eu, 0.6 less than H2O; B

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW- 72
NIST MS number 229809

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Vibrational and/or electronic energy levels

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, 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: Takehiko Shimanouchi

Gas     Symmetry:   Cs     Symmetry Number σ = 1
 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase
a' 1 OH str 3681  A 3681 M gas
a' 2 CH3 d-str 3000  C 3000 M gas
a' 3 CH3 s-str 2844  A 2844 S gas
a' 4 CH3 d-deform 1477  B 1477 M gas OV(ν10)
a' 5 CH3 s-deform 1455  A 1455 M gas
a' 6 OH bend 1345  B 1345 S gas
a' 7 CH3 rock 1060  D 1060 W gas OV(ν8)
a' 8 CO str 1033  A 1033 VS gas 1032 gas
a 9 CH3 d-str 2960  C 2960 S gas 2955 gas
a 10 CH3 d-deform 1477  B 1477 M gas OV(ν4)
a 11 CH3 rock 1165  C 1165 liq.
a 12 Torsion 295  A 80~300 gas ?/? Value of ν12 is undefined because of large coupling between internal & overall rotations.
a 12 Torsion 200  E 80~300 gas ?/? Value of ν12 is undefined because of large coupling between internal & overall rotations.

Source: Shimanouchi, 1972

Liquid     Symmetry:   Cs     Symmetry Number σ = 1
 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase
a' 1 OH str 3328  D 3328 vb liq. 3270-3480 liq.
a' 2 CH3 d-str 2980  C 2980 M liq. 2993 liq.
a' 3 CH3 s-str 2834  C 2834 S liq. 2834 liq.
a' 4 CH3 d-deform 1480  C 1480 M liq. 1464 liq. OV(ν10)
a' 5 CH3 s-deform 1450  C 1450 M liq.
a' 6 OH bend 1418  C 1418 M b liq.
a' 7 CH3 rock 1115  C 1115 M liq. 1107 liq.
a' 8 CO str 1030  C 1030 VS liq. 1033 liq.
a 9 CH3 d-str 2946  C 2946 S liq. 2940 liq.
a 10 CH3 d-deform 1480  C 1480 M liq. 1464 liq. OV(ν4)
a 11 CH3 rock 1165  C 1165 liq.
a 12 Torsion 655  D 655 vb liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
bBroad
vbVery broad
OVOverlapped by band indicated in parentheses.
A0~1 cm-1 uncertainty
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty
E15~30 cm-1 uncertainty

Gas Chromatography

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySE-30140.340.Haken and Korhonen, 1985Column length: 25. m; Column diameter: 0.33 mm
PackedSE-30100.384.Winskowski, 1983Gaschrom Q; Column length: 2. m
PackedSE-30150.356.Haken, Nguyen, et al., 1979Celatom AW silanized; Column length: 3.7 m
PackedApiezon L120.336.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedSE-30100.373.Pías and Gascó, 1975Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m
PackedApiezon L100.355.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedSE-3080.330.Viani, Müggler-Chavan, et al., 1965He, Chromosorb P; Column length: 6. m

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH-100380.Haagen-Smit Laboratory, 1997He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min)

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-351100.917.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-35180.891.Haken and Korhonen, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
PackedPEG-2000152.860.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000179.881.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedCarbowax 20M100.892.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m
PackedPolyethylene Glycol 4000100.904.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 4000120.897.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 4000140.886.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 400080.914.Bonastre and Grenier, 1968Chromosorb P; Column length: 6. m

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCBP-20899.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C
CapillaryDB-Wax888.Shimoda and Shibamoto, 1990He, 40. C @ 6. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 190. C

Kovats' RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
PackedCarbowax 20M869.Kevei and Kozma, 1976Chromosorb; Program: not specified

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH372.7Censullo, Jones, et al., 200350. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryPetrocol DH378.2Censullo, Jones, et al., 200350. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillarySE-30400.0Golovnya, Kuz'menko, et al., 200025. m/0.32 mm/1. μm, He, 4. K/min; Tstart: 60. C
CapillarySE-30400.0Golovnya, Kuz'menko, et al., 2000, 225. m/0.32 mm/1. μm, He, 4. K/min; Tstart: 60. C
CapillaryDB-1361.Bartelt, 199730. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; Tend: 270. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
PackedSE-30368.Peng, Ding, et al., 1988Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax910.4Censullo, Jones, et al., 200360. m/0.25 mm/0.5 μm, He, 50. C @ 10. min, 5. K/min, 250. C @ 10. min
CapillaryFFAP916.Ott, Fay, et al., 199730. m/0.25 mm/0.25 μm, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min
PackedCarbowax 20M866.van den Dool and Kratz, 1963Celite 545, 4.6 K/min; Tstart: 75. C; Tend: 228. C

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-160.382.Shimadzu, 2003, 260. m/0.32 mm/1. μm, He
PackedSqualane100.338.Vernon, 1971N2
PackedDC-400150.370.Anderson, 1968Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m
PackedSqualane125.348.Cremer and Nonn, 1964H2, Chromosorb W (80-100 mesh); Column length: 3. m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB395.Bramston-Cook, 201360. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryPetrocol DH379.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryHP-5367.5Leffingwell and Alford, 200560. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
CapillaryOV-101381.Zenkevich, 200525. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C
CapillaryBP-1370.Health Safety Executive, 200050. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryDB-5MS353.5Shoenmakers, Oomen, et al., 200030. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min; Tend: 250. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS381.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryMethyl Silicone373.Chen and Feng, 2007Program: not specified
CapillaryMethyl Silicone373.Kou, Zhang, et al., 2006Program: not specified
CapillaryMethyl Silicone408.Blunden, Aneja, et al., 200560. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
CapillaryMethyl Silicone373.Fu and Wang, 2004Program: not specified
CapillaryMethyl Silicone362.N/AProgram: not specified
CapillaryPolydimethyl siloxanes381.Zenkevich, 2001Program: not specified
CapillaryPolydimethyl siloxanes381.Zenkevich, 2001, 2Program: not specified
CapillaryMethyl Silicone381.Zenkevich, 1999Program: not specified
CapillarySPB-1353.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryPolydimethyl siloxanes381.Zenkevich and Chupalov, 1996Program: not specified
CapillaryMethyl Silicone381.Zenkevich, Korolenko, et al., 1995Program: not specified
CapillaryDB-1348.Schuberth, 199430. m/0.25 mm/1. μm, He; Program: 40C (4min) => 10C/min => 200C => 50C/min => 250C
CapillarySPB-1353.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1391.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified
CapillaryCP Sil 8 CB404.Weller and Wolf, 198940. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.384.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M100.892.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium
CapillaryCarbowax 20M60.899.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium
CapillaryCarbowax 20M80.895.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium
CapillaryDB-Wax60.921.Shimadzu, 2003, 250. m/0.32 mm/1. μm, He

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax911.Shimadzu, 201230. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C
CapillaryDB-Wax907.Chida, Sone, et al., 200460. m/0.25 mm/0.5 μm, 35. C @ 5. min, 4. K/min, 240. C @ 10. min
CapillaryDB-Wax911.Shimadzu Corporation, 200330. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C
CapillaryDB-Wax903.Tanaka, Yamauchi, et al., 200330. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C
CapillaryDB-Wax905.Tanaka, Yamauchi, et al., 200330. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C
CapillaryTC-Wax898.Suhardi, Suzuki, et al., 200260. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min, 230. C @ 10. min
CapillaryDB-Wax905.Duque, Bonilla, et al., 200130. m/0.25 mm/0.25 μm, Helium, 4. K/min, 220. C @ 30. min; Tstart: 25. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M920.Vinogradov, 2004Program: not specified
CapillaryPolyethylene Glycol897.Zenkevich, Korolenko, et al., 1995Program: not specified
CapillaryDB-Wax909.Peng, Yang, et al., 1991Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.907.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.920.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 20M883.Ramsey and Flanagan, 1982Program: not specified

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, 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, J. Phys. Chem., 1991, 95, 9, 3558, https://doi.org/10.1021/j100162a024 . [all data]

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 . [all data]

Sieck, 1985
Sieck, L.W., Thermochemistry of Solvation of NO2- and C6H5NO2- by Polar Molecules in the Vapor Phase. Comparison with Cl- and Variation with Ligand Structure., J. Phys. Chem., 1985, 89, 25, 5552, https://doi.org/10.1021/j100271a049 . [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

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, Can. J. Chem., 1973, 51, 2507. [all data]

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, J. Chem. Phys., 2006, 125, 1, 014306, https://doi.org/10.1063/1.2212411 . [all data]

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-, Chem. Phys. Lett., 1998, 292, 4-6, 651-655, https://doi.org/10.1016/S0009-2614(98)00717-9 . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]

Meot-ner and Sieck, 1986
Meot-ner, M.; Sieck, L.W., Relative acidities of water and methanol, and the stabilities of the dimer adducts, J. Phys. Chem., 1986, 90, 6687. [all data]

Meot-Ner (Mautner), 1992
Meot-Ner (Mautner), M., Intermolecular Forces in Organic Clusters, J. Am. Chem. Soc., 1992, 114, 9, 3312, https://doi.org/10.1021/ja00035a024 . [all data]

Szulejko and McMahon, 1992
Szulejko, J.; McMahon, T.B., personal communication, 1992. [all data]

Meot-Ner(Mautner), 1986
Meot-Ner(Mautner), M., Comparative Stabilities of Cationic and Anionic Hydrogen-Bonded Networks. Mixed Clusters of Water-Methanol, J. Am. Chem. Soc., 1986, 108, 20, 6189, https://doi.org/10.1021/ja00280a014 . [all data]

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, J. Am. Chem. Soc., 1973, 95, 24, 7939, https://doi.org/10.1021/ja00805a002 . [all data]

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, J. Am. Chem. Soc., 1982, 104, 23, 6255, https://doi.org/10.1021/ja00387a016 . [all data]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr., Thermochemical data on Ggs-phase ion-molecule association and clustering reactions, J. Phys. Chem. Ref. Data, 1986, 15, 1011. [all data]

Paul and Kebarle, 1990
Paul, G.J.C.; Kebarle, P., Thermodynamics of the Association Reactions OH- - H2O = HOHOH- and CH3O- - CH3OH = CH3OHOCH3- in the Gas Phase, J. Phys. Chem., 1990, 94, 12, 5184, https://doi.org/10.1021/j100375a076 . [all data]

Caldwell, Rozeboom, et al., 1984
Caldwell, G.; Rozeboom, M.D.; Kiplinger, J.P.; Bartmess, J.E., Anion-alcohol hydrogen bond strengths in the gas phase, J. Am. Chem. Soc., 1984, 106, 4660. [all data]

Moylan, Dodd, et al., 1985
Moylan, C.R.; Dodd, J.A.; Brauman, J.I., Electron photodetachment spectroscopy of Sslvated anions. A probe of structure and energetics, Chem. Phys. Lett., 1985, 118, 38. [all data]

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, Bull. Chem. Soc. Japan, 2006, 79, 7, 1118-1125, https://doi.org/10.1246/bcsj.79.1118 . [all data]

MacKay and Bohme, 1978
MacKay, G.I.; Bohme, D.K., Proton-Transfer Reactions in Nitromethane at 297K, Int. J. Mass Spectrom. Ion Phys., 1978, 26, 4, 327, https://doi.org/10.1016/0020-7381(78)80052-7 . [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, J. Am. Chem. Soc., 1986, 108, 7525. [all data]

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, J. Phys. Chem. A, 1999, 103, 35, 6911-6920, https://doi.org/10.1021/jp991459m . [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, Can. J. Chem., 1982, 60, 20, 2594, https://doi.org/10.1139/v82-373 . [all data]

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, Prog. Phys. Org. Chem., 1983, 14, 247. [all data]

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, Int. J. Mass Spectrom., 1999, 187, 707-725, https://doi.org/10.1016/S1387-3806(98)14180-5 . [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, J. Phys. Chem. A, 1999, 103, 46, 9163-9166, https://doi.org/10.1021/jp992852v . [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, Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X . [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, J. Am. Chem. Soc., 1984, 106, 967. [all data]

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, J. Phys. Chem., 1996, 100, 8, 2862-2866, https://doi.org/10.1021/jp952290p . [all data]

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, J. Am. Chem. Soc., 1983, 105, 2944. [all data]

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 . [all data]

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 . [all data]

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, Int. J. Mass Spectrom., 2001, 212, 1-3, 301, https://doi.org/10.1016/S1387-3806(01)00494-8 . [all data]

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, J. Phys. Chem A, 2000, 104, 11, 2238, https://doi.org/10.1021/jp991716n . [all data]

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, J. Am. Chem. Soc., 1999, 121, 38, 8864, https://doi.org/10.1021/ja9841198 . [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, J. Am. Chem. Soc., 1989, 111, 17, 6506, https://doi.org/10.1021/ja00199a005 . [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, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [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, J. Am. Chem. Soc., 1994, 116, 11067-11077. [all data]

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, J. Chem. Thermodyn., 1979, 11, 773-786. [all data]

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, J. Phys. Chem., 1962, 66, 97-99. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

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]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Tao, Klemm, et al., 1992
Tao, W.; Klemm, R.B.; Nesbitt, F.L.; Stief, J.L., A discharge flow-photoionization mass spectrometric study of hydroxymethyl radicals (H2COH and H2COD): Photoionization spectrum and ionization energy, J. Phys. Chem., 1992, 96, 104. [all data]

Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P., Ionization energies of homologous organic compounds and correlation with molecular size, Org. Mass Spectrom., 1991, 26, 537. [all data]

Bowen and Maccoll, 1984
Bowen, R.D.; Maccoll, A., Low energy, low temperature mass spectra, Org. Mass Spectrom., 1984, 19, 379. [all data]

Mishchanchuk, Pokrovskii, et al., 1982
Mishchanchuk, B.G.; Pokrovskii, V.A.; Shabel'nikov, V.P.; Korol, E.N., Mass spectrometric study of energy characteristics of methanol and ethanol ions during ionization by a strong electric field, Teor. Eksp. Khim., 1982, 18, 307. [all data]

Allam, Migahed, et al., 1982
Allam, S.H.; Migahed, M.D.; El-Khodary, A., Electron impact ionization and dissociation of deuterated and non-deuterated methanol, methyl cyanide, nitromethane and nitrobenzene, Egypt. J. Phys., 1982, 13, 167. [all data]

Sahini, Constantin, et al., 1978
Sahini, V.E.; Constantin, V.; Serban, I., Determination of ionization potentials using a MI-1305 mass spectrometer, Rev. Roum. Chim., 1978, 23, 479. [all data]

Berkowitz, 1978
Berkowitz, J., Photoionization of CH3OH, CD3OH, and CH3OD: Dissociative ionization mechanisms and ionic structures, J. Chem. Phys., 1978, 69, 3044. [all data]

MacNeil and Dixon, 1977
MacNeil, K.A.G.; Dixon, R.N., High-resolution photoelectron spectroscopy of methanol and its deuterated derivatives: Internal rotation in the ground ionic state, J. Electron Spectrosc. Relat. Phenom., 1977, 11, 315. [all data]

Finney and Harrison, 1972
Finney, C.D.; Harrison, A.G., A third-derivative method for determining electron-impact onset potentials, Int. J. Mass Spectrom. Ion Phys., 1972, 9, 221. [all data]

Warneck, 1971
Warneck, P., Photoionisation von methanol und formaldehyd, Z. Naturforsch. A:, 1971, 26, 2047. [all data]

Cocksey, Eland, et al., 1971
Cocksey, B.J.; Eland, J.H.D.; Danby, C.J., The effect of alkyl substitution on ionisation potential, J. Chem. Soc., 1971, (B), 790. [all data]

Baker, Betteridge, et al., 1971
Baker, A.D.; Betteridge, D.; Kemp, N.R.; Kirby, R.E., Application of photoelectron spectrometry to pesticide analysis. II.Photoelectron spectra of hydroxy-, and halo-alkanes and halohydrins, Anal. Chem., 1971, 43, 375. [all data]

Omura, Kaneko, et al., 1969
Omura, I.; Kaneko, T.; Yamada, Y.; Tanaka, K., Mass spectrometric studies of photoionization. V. Methanol and methanol-d, J. Phys. Soc. Japan, 1969, 27, 981. [all data]

Lifshitz, Shapiro, et al., 1969
Lifshitz, C.; Shapiro, M.; Sternberg, R., Isotopic effects on metastable transitions. IV. Isotopic methanols, Israel J. Chem., 1969, 7, 391. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Refaey and Chupka, 1968
Refaey, K.M.A.; Chupka, W.A., Photoionization of the lower aliphatic alcohols with mass analysis, J. Chem. Phys., 1968, 48, 5205. [all data]

Cermak, 1968
Cermak, V., Penning ionization electron spectroscopy. I. Determination of ionization potentials of polyatomic molecules, Collection Czech. Chem. Commun., 1968, 33, 2739. [all data]

Al-Joboury and Turner, 1964
Al-Joboury, M.I.; Turner, D.W., Molecular photoelectron spectroscopy. Part II. A summary of ionization potentials, J. Chem. Soc., 1964, 4434. [all data]

Watanabe, 1954
Watanabe, K., Photoionization and total absorption cross section of gases. I. Ionization potentials of several molecules. Cross sections of NH3 and NO, J. Chem. Phys., 1954, 22, 1564. [all data]

Vorob'ev, Furlei, et al., 1989
Vorob'ev, A.S.; Furlei, I.I.; Sultanov, A.S.; Khvostenko, V.I.; Leplyanin, G.V.; Derzhinskii, A.R.; Tolstikov, G.A., Mass spectrometry of reasonance capture of electrons and photoelectron spectroscopy of molecules of ethylene oxide, ethylene sulfide, and their derivatives, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1989, 1388. [all data]

Von Niessen, Bieri, et al., 1980
Von Niessen, W.; Bieri, G.; Asbrink, L., 30.4 nm He(II) photoelectron spectra of organic molecules. Part III. Oxo-compounds (C,H,O), J. Electron Spectrosc. Relat. Phenom., 1980, 21, 175. [all data]

Utsunomiya, Kobayashi, et al., 1980
Utsunomiya, C.; Kobayashi, T.; Nagakura, S., Photoelectron angular distribution measurements for some aliphatic alcohols, amines, halides, Bull. Chem. Soc. Jpn., 1980, 53, 1216. [all data]

Kobayashi, 1978
Kobayashi, T., A simple general tendency in photoelectron angular distributions of some monosubstituted benzenes, Phys. Lett., 1978, 69, 105. [all data]

Benoit and Harrison, 1977
Benoit, F.M.; Harrison, A.G., Predictive value of proton affinity. Ionization energy correlations involving oxygenated molecules, J. Am. Chem. Soc., 1977, 99, 3980. [all data]

Peel and Willett, 1975
Peel, J.B.; Willett, G.D., Photoelectron spectroscopic studies of the higher alcohols, Aust. J. Chem., 1975, 28, 2357. [all data]

Robin and Kuebler, 1973
Robin, M.B.; Kuebler, N.A., Excited electronic states of the simple alcohols, J. Electron Spectrosc. Relat. Phenom., 1973, 1, 13. [all data]

Ogata, Onizuka, et al., 1973
Ogata, H.; Onizuka, H.; Nihei, Y.; Kamada, H., The photoelectron spectra of alcohols, mercaptans and amines, Bull. Chem. Soc. Jpn., 1973, 46, 3036. [all data]

Katsumata, Iwai, et al., 1973
Katsumata, S.; Iwai, T.; Kimura, K., Photoelectron spectra and sum rule consideration. Higher alkyl amines and alcohols, Bull. Chem. Soc. Jpn., 1973, 46, 3391. [all data]

Ogata, Onizuka, et al., 1972
Ogata, H.; Onizuka, H.; Nihei, Y.; Kamada, H., On the first bands of the photoelectron spectra of amines, alcohols, and mercaptans, Chem. Lett., 1972, 895. [all data]

Reed and Snedden, 1956
Reed, R.I.; Snedden, W., Studies in electron impact methods. Part 6.-The formation of the methine and carbon ions, J. Chem. Soc. Faraday Trans., 1956, 55, 876. [all data]

Haney and Franklin, 1968
Haney, M.A.; Franklin, J.L., Correlation of excess energies of electron-impact dissociations with the translational energies of the products, J.Chem. Phys., 1968, 48, 4093. [all data]

Friedman, Long, et al., 1957
Friedman, L.; Long, F.A.; Wolfsberg, M., Study of the mass spectra of the lower aliphatic alcohols, J. Chem. Phys., 1957, 27, 613. [all data]

Selim and Helal, 1981
Selim, E.T.M.; Helal, A.I., Heat of formation of CH2=OH+ fragment ion, Indian J. Pure Appl. Phys., 1981, 19, 977. [all data]

Lossing, 1977
Lossing, F.P., Heats of formation of some isomeric [CnH2n+1]+ ions. Substitutional effects on ion stability, J. Am. Chem. Soc., 1977, 99, 7526. [all data]

Berkowitz, Ellison, et al., 1994
Berkowitz, J.; Ellison, G.B.; Gutman, D., Three methods to measure RH bond energies, J. Phys. Chem., 1994, 98, 2744. [all data]

Friedland and Strakna, 1956
Friedland, S.S.; Strakna, R.E., Appearance potential studies. I, J. Phys. Chem., 1956, 60, 815. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Haken and Korhonen, 1985
Haken, J.K.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXVII. Retention increments of C1-C18 primary alkanols and their 2-chloropropanoyl and 3-chloropropanoyl derivatives on SE-30 and OV-351 capillary columns, J. Chromatogr., 1985, 319, 131-142, https://doi.org/10.1016/S0021-9673(01)90548-5 . [all data]

Winskowski, 1983
Winskowski, J., Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren, Chromatographia, 1983, 17, 3, 160-165, https://doi.org/10.1007/BF02271041 . [all data]

Haken, Nguyen, et al., 1979
Haken, J.K.; Nguyen, A.; Wainwright, M.S., Application of linear extrathermodynamic relationships to alcohols, aldehydes, ketones, amd ethoxy alcohols, J. Chromatogr., 1979, 179, 1, 75-85, https://doi.org/10.1016/S0021-9673(00)80658-5 . [all data]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Pías and Gascó, 1975
Pías, J.B.; Gascó, L., GC Retention Data of Alcohols and Benzoyl Derivatives of Alcohols, J. Chromatogr. - Chrom. Data, 1975, d14-d16. [all data]

Brown, Chapman, et al., 1968
Brown, I.; Chapman, I.L.; Nicholson, G.J., Gas chromatography of polar solutes in electron acceptor stationary phases, Aust. J. Chem., 1968, 21, 5, 1125-1141, https://doi.org/10.1071/CH9681125 . [all data]

Viani, Müggler-Chavan, et al., 1965
Viani, R.; Müggler-Chavan, F.; Reymond, D.; Egli, R.H., 196. Sur la composition de l'arôme de café, Helv. Chim. Acta, 1965, 48, 195-196, 1809-1815, https://doi.org/10.1002/hlca.19650480743 . [all data]

Haagen-Smit Laboratory, 1997
Haagen-Smit Laboratory, Procedure for the detailed hydrocarbon analysis of gasolines by single column high efficiency (capillary) column gas chromatography, SOP NO. MLD 118, Revision No. 1.1, California Environmental Protection Agency, Air Resources Board, El Monte, California, 1997, 22. [all data]

Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]

Zarazir, Chovin, et al., 1970
Zarazir, D.; Chovin, P.; Guiochon, G., Identification of hydroxylic compounds and their derivatives by gas chromatography, Chromatographia, 1970, 3, 4, 180-195, https://doi.org/10.1007/BF02269018 . [all data]

Bonastre and Grenier, 1968
Bonastre, J.; Grenier, P., Contribution à l'étude de la polarité des phases stationnaires en chromatographie gaz-liquide. III. Calcul des coefficients d'activité relatifs et des indices de rétention de quelques alcools aliphatiques, Bull. Soc. Chim. Fr., 1968, 1, 118-125. [all data]

Shimadzu, 2003
Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 2), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]

Shimoda and Shibamoto, 1990
Shimoda, M.; Shibamoto, T., Isolation and identification of headspace volatiles from brewed coffee with an on-column GC/MS method, J. Agric. Food Chem., 1990, 38, 3, 802-804, https://doi.org/10.1021/jf00093a045 . [all data]

Kevei and Kozma, 1976
Kevei, E.; Kozma, E., Gaschromatographische Untersuchungsmethoden zur Aromaprüfung in gekochtem Schweinefleisch (M. semimembranosus), Nahrung, 1976, 20, 3, 243-252, https://doi.org/10.1002/food.19760200303 . [all data]

Censullo, Jones, et al., 2003
Censullo, A.C.; Jones, D.R.; Wills, M.T., Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography, J. Coat. Technol., 2003, 75, 936, 47-53, https://doi.org/10.1007/BF02697922 . [all data]

Golovnya, Kuz'menko, et al., 2000
Golovnya, R.V.; Kuz'menko, T.e.; Samusenko, A.L., Method for prediction of the ability of analyte for self-association in pure liquid, Proceedings 23rd ISCC; CD-ROM, 2000, retrieved from http://www.richrom.com/assets/CD23PDF/a09.pdf. [all data]

Golovnya, Kuz'menko, et al., 2000, 2
Golovnya, R.V.; Kuz'menko, T.E.; Samusenko, A.L., Gas-chromatographic method of evaluation of n-alkanol ability for self-association in pure liquid, Russ. Chem. Bull. (Engl. Transl.), 2000, 49, 2, 317-320, https://doi.org/10.1007/BF02494680 . [all data]

Bartelt, 1997
Bartelt, R.J., Calibration of a commercial solid-phase microextraction device for measuring headspace concentrations of organic volatiles, Anal. Chem., 1997, 69, 3, 364-372, https://doi.org/10.1021/ac960820n . [all data]

Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8 . [all data]

Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A., Determination and origin of the aroma impact compounds of yogurt flavor, J. Agric. Food Chem., 1997, 45, 3, 850-858, https://doi.org/10.1021/jf960508e . [all data]

van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec., A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography, J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X . [all data]

Shimadzu, 2003, 2
Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 3), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]

Vernon, 1971
Vernon, F., An investigation into hydrogen bonding in gas-liquid chromatography, J. Chromatogr., 1971, 63, 249-257, https://doi.org/10.1016/S0021-9673(01)85637-5 . [all data]

Anderson, 1968
Anderson, D.G., USe of Kovats retention indices and response factors for the qualitative and quantitative analysis of coating solvents, J. Paint Technol., 1968, 40, 527, 549-557. [all data]

Cremer and Nonn, 1964
Cremer, E.; Nonn, H., Kennzahlen zur Identifizierung chromatographisch getrennter Komponenten, Monatsh. Chem., 1964, 3, 3, 910-921, https://doi.org/10.1007/BF00908804 . [all data]

Bramston-Cook, 2013
Bramston-Cook, R., Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]

Supelco, 2012
Supelco, CatalogNo. 24160-U, Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]

Health Safety Executive, 2000
Health Safety Executive, MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]

Shoenmakers, Oomen, et al., 2000
Shoenmakers, P.J.; Oomen, J.L.M.M.; Blomberg, J.; Genuit, W.; van Velzen, G., Comparison of comprehensive two-dimensional gas chromatography and gas chromatography-mass spectrometry for the characterization of complex hydrocarbon mixtures, J. Chromatogr. A, 2000, 892, 1-2, 29-46, https://doi.org/10.1016/S0021-9673(00)00744-5 . [all data]

Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A., HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge, Environ. Monit. Asses., 2012, 184, 5, 2893-2907, https://doi.org/10.1007/s10661-011-2158-8 . [all data]

Chen and Feng, 2007
Chen, Y.; Feng, C., QSPR study on gas chromatography retention index of some organic pollutants, Comput. Appl. Chem. (China), 2007, 24, 10, 1404-1408. [all data]

Kou, Zhang, et al., 2006
Kou, J.; Zhang, S.; Hu, Y.; Qiao, H.; Li, J., Stidy on the relationships between structures and gas chromatographic retention indices of alcohols, Comput. Appl. Chem. (Chinese), 2006, 23, 7, 651-654. [all data]

Blunden, Aneja, et al., 2005
Blunden, J.; Aneja, V.P.; Lonneman, W.A., Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina, Atm. Environ., 2005, 39, 36, 6707-6718, https://doi.org/10.1016/j.atmosenv.2005.03.053 . [all data]

Fu and Wang, 2004
Fu, S.-P.; Wang, Y.-Q., Estimation and prediction of gas chromatographic retention indices of alcohols by molecular electronegativity-distance vector, J. Chongqing Univ., 2004, 27, 6, 106-109. [all data]

Zenkevich, 2001
Zenkevich, I.G., Encyclopedia of Chromatography. Derivatization of Acids for GC Analysis, Marcel Dekker, Inc., New York - Basel, 2001, 221. [all data]

Zenkevich, 2001, 2
Zenkevich, I.G., Encyclopedia of Chromatography. Derivatization of Carbonyls for GC Analysis, MArcel Dekker, Inc., New York - Basel, 2001, 233. [all data]

Zenkevich, 1999
Zenkevich, I.G., New Application of the Retention Index Concept in Gas and High Performance Liquid Chromatography, Fresenius' J. Anal. Chem., 1999, 365, 4, 305-309, https://doi.org/10.1007/s002160051491 . [all data]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]

Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]

Zenkevich, Korolenko, et al., 1995
Zenkevich, I.G.; Korolenko, L.I.; Khralenkova, N.B., Desorption with solvent vapor as a method of sample preparation in the sorption preconcentration of organic-compounds from the air of a working area and from industrial-waste gases, J. Appl. Chem. USSR (Engl. Transl.), 1995, 50, 10, 937-944. [all data]

Schuberth, 1994
Schuberth, J., Joint use of retention index and mass spectrum in postmortem tests for volatile organics by headspace capillary gas chromatography with ion-trap detection, J. Chromatogr. A, 1994, 674, 1-2, 63-71, https://doi.org/10.1016/0021-9673(94)85217-0 . [all data]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

Weller and Wolf, 1989
Weller, J.-P.; Wolf, M., Massenspektroskopie und Headspace-GC, Beitr. Gerichtl. Med., 1989, 47, 525-532. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Sun, Siepmann, et al., 2006
Sun, L.; Siepmann, J.I.; Klotz, W.L.; Schure, M.R., retention in gas-liquid chromatography with a polyethylene oxide stationary phase: molecular simulation and experiment, J. Chromatogr. A, 2006, 1126, 1-2, 373-380, https://doi.org/10.1016/j.chroma.2006.05.084 . [all data]

Shimadzu, 2012
Shimadzu, Pharmaceutical Related, Analysis of pharmaceutical residual solvent (observation of separation) (1) - GC, 2012, retrieved from www.shimadzu.ru/applications/Applicationspdf/GC/Pharma/Pharmaceutical residual solvents GC.pdf. [all data]

Chida, Sone, et al., 2004
Chida, M.; Sone, Y.; Tamura, H., Aroma characteristics of stored tobacco cut leaves analyzed by a high vacuum distillation and canister system, J. Agric. Food Chem., 2004, 52, 26, 7918-7924, https://doi.org/10.1021/jf049223p . [all data]

Shimadzu Corporation, 2003
Shimadzu Corporation, Analysis of pharmaceutical residual solvent (observation of separation), 2003, retrieved from http://www.shimadzu.com.br/analitica/aplicacoes/book/pharm69.pdf. [all data]

Tanaka, Yamauchi, et al., 2003
Tanaka, T.; Yamauchi, T.; Katsumata, R.; Kiuchi, K., Comparison of volatile components in commercial Itohiki-Natto by solid phase microextraction and gas chromatography, Nippon Shokuhin Kagaku Kogaku Kaishi, 2003, 50, 6, 278-285, https://doi.org/10.3136/nskkk.50.278 . [all data]

Suhardi, Suzuki, et al., 2002
Suhardi, S.; Suzuki, M.; Yoshida, K.; Muto, T.; Fujita, A.; Watanbe, N., Changes in the volatile compounds and in the chemical and physical properties of snake fruit (Salacca edulis Reinw) Cv. Pondoh during maturation, J. Agric. Food Chem., 2002, 50, 26, 7627-7633, https://doi.org/10.1021/jf020620e . [all data]

Duque, Bonilla, et al., 2001
Duque, C.; Bonilla, A.; Bautista, E.; Zea, S., Exudation of low molecular wight compounds (thiobismethane, methyl isocyanide, amd methyl isothiocyanate) as a possible chemical defense mechanism in the marine sponge Ircinia felix, Biochem. Systematics Ecol., 2001, 29, 5, 459-467, https://doi.org/10.1016/S0305-1978(00)00081-8 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]

Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, References