Methyl Alcohol

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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
ΔfH°gas-49. ± 3.kcal/molAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
ΔcH°gas-182.52 ± 0.048kcal/molCmRossini, 1932Flame Calorimetry; Corresponding ΔfHºgas = -48.157 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
8.12650.Thermodynamics Research Center, 1997p=1 bar. Recommended entropies and heat capacities are in good agreement with other statistically calculated values [ Ivash E.V., 1955, Zhuravlev E.Z., 1959, Chen S.S., 1977, Chao J., 1986, Gurvich, Veyts, et al., 1989]. Please also see Chao J., 1986, 2.; GT
8.831100.
9.235150.
9.491200.
10.18273.15
10.53 ± 0.007298.15
10.56300.
12.34400.
14.27500.
16.06600.
17.65700.
19.06800.
20.30900.
21.401000.
22.361100.
23.211200.
23.9581300.
24.6131400.
25.1911500.
26.341750.
27.202000.
27.842250.
28.352500.
28.72750.
28.93000.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
10.13 ± 0.30279.Stromsoe E., 1970Heat capacity at 279 K was obtained by thermal conductivity [ Halford J.O., 1957]. Vapor heat capacities from calorimetric measurements [ De Vries T., 1941] were converted to the ideal gas heat capacities by corrections for the gas imperfection effects [ Chen S.S., 1977, Chao J., 1986, 2]. Ideal gas heat capacities are given by [ Stromsoe E., 1970] as a linear function Cp=f1*(a+bT). This expression approximates the experimental values with the average deviation of 1.17 J/mol*K. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%. Please also see De Vries T., 1941, Weltner W., 1951, Halford J.O., 1957.; GT
11.46 ± 0.30345.6
11.19 ± 0.28347.35
11.01 ± 0.30349.65
11.37 ± 0.28356.55
11.17 ± 0.30358.15
11.52 ± 0.30358.85
11.67 ± 0.30359.85
12.02 ± 0.30368.15
11.71 ± 0.28373.35
12.26 ± 0.30382.15
12.22 ± 0.28398.95
12.51 ± 0.30401.15
12.27 ± 0.28401.35
12.43 ± 0.10403.2
12.72 ± 0.30420.15
12.88 ± 0.28431.45
13.09 ± 0.28442.15
13.36 ± 0.30442.65
13.39 ± 0.28457.35
13.67 ± 0.10464.0
13.80 ± 0.28477.75
13.95 ± 0.28485.05
14.23 ± 0.28498.95
14.44 ± 0.30521.2
14.68 ± 0.28521.35
15.37 ± 0.28555.95
15.88 ± 0.28581.35
15.96 ± 0.28585.35

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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 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°17. ± 3.kcal/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°22.6cal/mol*KHPMSEvans and Keesee, 1991gas phase; M
ΔrS°24.1cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
ΔrS°22.0cal/mol*KPHPMSSieck, 1985gas phase; M
ΔrS°22.9cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
ΔrS°14.8cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrG°10.1 ± 0.8kcal/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°382. ± 2.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrG°376.02 ± 0.62kcal/molH-TSNee, Osterwalder, et al., 2006gas phase; B
ΔrG°376.04 ± 0.55kcal/molH-TSOsborn, Leahy, et al., 1998gas phase; B
ΔrG°374.0 ± 2.0kcal/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°374.6 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
ΔrG°375.10 ± 0.60kcal/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°32.6kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°32.3kcal/molPHPMSSzulejko and McMahon, 1992gas phase; M
ΔrH°32.1kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; M
ΔrH°33.1kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
ΔrH°33.7kcal/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°29.0cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°29.2cal/mol*KPHPMSSzulejko and McMahon, 1992gas phase; M
ΔrS°26.6cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; M
ΔrS°30.5cal/mol*KPHPMSGrimsrud and Kebarle, 1973gas phase; M
ΔrS°28.5cal/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°25.2kcal/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°29.3 ± 1.0kcal/molTDAsPaul and Kebarle, 1990gas phase; B,M
ΔrH°28.80 ± 0.30kcal/molTDAsMeot-ner and Sieck, 1986gas phase; B,M
ΔrH°29.4 ± 2.5kcal/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°19.0 ± 2.0kcal/molN/AMoylan, Dodd, et al., 1985gas phase; B
Quantity Value Units Method Reference Comment
ΔrS°31.8cal/mol*KPHPMSPaul and Kebarle, 1990gas phase; M
ΔrS°26.7cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
ΔrG°20.30kcal/molIMREMustanir, Matsuoka, et al., 2006gas phase; B
ΔrG°19.8 ± 1.0kcal/molTDAsPaul and Kebarle, 1990gas phase; B
ΔrG°20.80 ± 0.50kcal/molTDAsMeot-ner and Sieck, 1986gas phase; B
ΔrG°20.3 ± 1.6kcal/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° (kcal/mol) T (K) Method Reference Comment
19.1296.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°25.5 ± 1.0kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B,M
ΔrH°23.4 ± 2.2kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
ΔrH°26.0 ± 2.5kcal/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°27.9cal/mol*KN/AMeot-Ner and Sieck, 1986gas phase; Entropy change calculated or estimated; M
ΔrS°29.3cal/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°10.20kcal/molIMREMustanir, Matsuoka, et al., 2006gas phase; B
ΔrG°17.1 ± 1.6kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B
ΔrG°17.3 ± 1.6kcal/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°27.3 ± 2.9kcal/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°25.6 ± 1.9kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrS°29.3cal/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°18.6 ± 2.0kcal/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° (kcal/mol) T (K) Method Reference Comment
13.4296.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°14.10 ± 0.40kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°13.70 ± 0.20kcal/molTDAsEvans and Keesee, 1991gas phase; B,M
ΔrH°14.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
ΔrH°13.00 ± 0.70kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°24.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
ΔrS°22.0cal/mol*KHPMSEvans and Keesee, 1991gas phase; M
ΔrS°19.4cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°7.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°7.10kcal/molTDAsEvans and Keesee, 1991gas phase; B
ΔrG°6.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
ΔrG°7.20 ± 0.40kcal/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°11.50 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°10.80 ± 0.30kcal/molTDAsEvans and Keesee, 1991gas phase; B,M
ΔrH°11.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
ΔrH°12.30 ± 0.60kcal/molN/AYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°22.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
ΔrS°22.7cal/mol*KHPMSEvans and Keesee, 1991gas phase; M
ΔrS°23.6cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°5.06kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°4.00kcal/molTDAsEvans and Keesee, 1991gas phase; B
ΔrG°4.9 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
ΔrG°5.20 ± 0.30kcal/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°21.5 ± 2.0kcal/molIMREChabinyc and Brauman, 1999gas phase; B
ΔrH°21.4 ± 2.9kcal/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°29.3cal/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°11.0 ± 2.0kcal/molIMREChabinyc and Brauman, 1999gas phase; B
ΔrG°12.7 ± 2.0kcal/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°15.70 ± 0.80kcal/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
ΔrH°16.6 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
ΔrH°16.5 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°23.cal/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
ΔrS°24.3cal/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°8.80 ± 0.20kcal/molTDAsLarson, Szulejko, et al., 1988gas phase; B
ΔrG°10.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
ΔrG°9.2 ± 2.3kcal/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°36.8 ± 1.9kcal/molCIDTRodgers and Armentrout, 2000RCD
ΔrH°38.1kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H20, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M
ΔrH°38.kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/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°30.3kcal/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°11.90 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°11.3 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
ΔrH°11.2kcal/molPHPMSHiraoka and Yamabe, 1991gas phase; M
ΔrH°11.kcal/molPHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°17.1cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
ΔrS°17.8cal/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°5.76kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°6.0 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B
ΔrG°5.7 ± 2.0kcal/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°30.3kcal/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°26.9cal/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°22.3kcal/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°29.6kcal/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°26.6cal/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°21.7kcal/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°26.9 ± 2.9kcal/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°29.3cal/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°18.2 ± 2.0kcal/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°29.6 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
ΔrH°29.4 ± 2.2kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
ΔrH°23.3 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°25.0cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
ΔrS°22.6cal/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°22.8 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
ΔrG°15.8 ± 2.0kcal/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°10.5 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
ΔrH°10.50kcal/molTDAsEvans and Keesee, 1991gas phase; B
ΔrH°11.20 ± 0.60kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°22.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
ΔrS°26.4cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°3.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
ΔrG°3.70kcal/molTDAsEvans and Keesee, 1991gas phase; B
ΔrG°3.30 ± 0.20kcal/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°14.50 ± 0.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°13.9 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°17.6cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°8.00 ± 0.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°8.7 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B
ΔrG°8.4 ± 2.0kcal/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°39.2kcal/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°29.7cal/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° (kcal/mol) T (K) Method Reference Comment
25.3468.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°23.2 ± 1.3kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
ΔrH°21.9 ± 1.4kcal/molCIDTArmentrout and Rodgers, 2000RCD
ΔrH°24.0 ± 0.2kcal/molHPMSHoyau, Norrman, et al., 1999RCD
ΔrH°26.6 ± 0.2kcal/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°20500.cal/mol*KHPMSHoyau, Norrman, et al., 1999RCD
ΔrS°24.3cal/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
17.3298.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°9.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
ΔrH°10.50 ± 0.50kcal/molN/AYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°21.7cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
ΔrS°25.5cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°2.7 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
ΔrG°2.90 ± 0.10kcal/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°4.86 ± 0.01kcal/molCmWiberg, Morgan, et al., 1994liquid phase; ALS
ΔrH°4.88 ± 0.01kcal/molCmWiberg and Squires, 1979liquid phase; Heat of hydrolysis; ALS
ΔrH°4.8836 ± 0.0067kcal/molCmWiberg and Squires, 1979, 2liquid phase; solvent: Water; Hydrolysis; ALS
ΔrH°-3.95 ± 0.05kcal/molCmStern and Dorer, 1962liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 3.69 ± 0.05 kcal/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°21.2kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°21.0kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; M
ΔrH°21.3kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°27.0cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°25.8cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; M
ΔrS°28.2cal/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°25.7 ± 2.9kcal/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°17.0 ± 2.0kcal/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°21.9 ± 2.5kcal/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°13.2 ± 1.6kcal/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°13.8kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
ΔrS°25.cal/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°6.3kcal/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°9.1kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°22.cal/mol*KN/AMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.1272.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°9.3kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°22.cal/mol*KN/AMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.2272.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°9.4kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°22.cal/mol*KN/AMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.5269.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°24.5kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°29.cal/mol*KN/AMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
11.6452.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°15.10 ± 0.20kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°26.1cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°7.30 ± 0.40kcal/molTDAsSieck, 1985gas phase; B
ΔrG°6.3 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.3343.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°13.4kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
ΔrS°25.cal/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°5.9kcal/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°20.30 ± 0.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°19.3 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°23.2cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°12.97kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°12.4 ± 2.0kcal/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°15.10 ± 0.60kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°14.5 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°21.2cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°8.06kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°8.2 ± 2.0kcal/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°9.50 ± 0.50kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°10.6 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°21.6cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°4.25kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°4.2 ± 2.0kcal/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°12.00 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°12.5 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°20.7cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°5.62kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°6.3 ± 2.0kcal/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°7.70 ± 0.60kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°9.8 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°22.4cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°3.41kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°3.1 ± 2.0kcal/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°9.50 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°11.1 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°22.6cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°4.25kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°4.4 ± 2.0kcal/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°7.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
ΔrS°20.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°1.3 ± 1.0kcal/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°20.5 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
ΔrH°21.4 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
ΔrH°20.5 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
ΔrH°20.2 ± 0.2kcal/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°21.7cal/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°10.40 ± 0.20kcal/molTDAsEvans and Keesee, 1991gas phase; B
ΔrH°11.40 ± 0.30kcal/molTDAsEvans and Keesee, 1991gas phase; For solvation by MeOH of core ion; B
Quantity Value Units Method Reference Comment
ΔrG°5.80kcal/molTDAsEvans and Keesee, 1991gas phase; B
ΔrG°6.00kcal/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°17.2kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M
Quantity Value Units Method Reference Comment
ΔrS°28.6cal/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°13.7kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M
Quantity Value Units Method Reference Comment
ΔrS°30.8cal/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°14.0kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°16.1kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°24.0cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°28.9cal/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°11.3kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°13.5kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°22.3cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°28.7cal/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°10.2kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°12.5kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°23.5cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°31.1cal/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°21.9kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M
Quantity Value Units Method Reference Comment
ΔrS°25.2cal/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°9.3kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°11.9kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°23.5cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°32.9cal/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°9.0kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrH°12.0kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°25.7cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
ΔrS°35.7cal/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°8.5 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; Entropy estimated.; B,M
Quantity Value Units Method Reference Comment
ΔrS°25.cal/mol*KN/AHiraoka and Yamabe, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°1.1 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; Entropy estimated.; B

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, 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 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)180.3kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity173.2kcal/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°382. ± 2.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrG°376.02 ± 0.62kcal/molH-TSNee, Osterwalder, et al., 2006gas phase; B
ΔrG°376.04 ± 0.55kcal/molH-TSOsborn, Leahy, et al., 1998gas phase; B
ΔrG°374.0 ± 2.0kcal/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°374.6 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
ΔrG°375.10 ± 0.60kcal/molTDEqMeot-ner and Sieck, 1986gas phase; Experimental entropy: 21.5 eu, 0.6 less than H2O; B

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes

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

Data compiled 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

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

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

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Notes

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