Methyl Alcohol

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Gas phase thermochemistry data

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

Data compiled as indicated in comments:
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
Δfgas-49. ± 3.kcal/molAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Δcgas-182.52 ± 0.048kcal/molCmRossini, 1932Flame Calorimetry; Corresponding Δfgas = -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

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, 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.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-56.97kcal/molCcrBaroody and Carpenter, 1972ALS
Δfliquid-57.24 ± 0.04kcal/molCcbChao and Rossini, 1965see Rossini, 1934; ALS
Δfliquid-57.10 ± 0.86kcal/molCcbGreen, 1960Reanalyzed by Cox and Pilcher, 1970, Original value = -57.01 ± 0.05 kcal/mol; ALS
Δfliquid-59.89kcal/molCcbParks, 1925ALS
Δfliquid-60.1 ± 1.2kcal/molCcbRichards and Davis, 1920DRB
Quantity Value Units Method Reference Comment
Δcliquid-173.45 ± 0.03kcal/molCcbChao and Rossini, 1965see Rossini, 1934; Corresponding Δfliquid = -57.23 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-173.64 ± 0.05kcal/molCcbGreen, 1960Corresponding Δfliquid = -57.04 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-173.60 ± 0.048kcal/molCcbRossini, 1931Corresponding Δfliquid = -57.082 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-170.90kcal/molCcbParks, 1925Corresponding Δfliquid = -59.78 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-170.61kcal/molCcbRichards and Davis, 1920At 291 K; Corresponding Δfliquid = -60.072 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid30.399cal/mol*KN/ACarlson and Westrum, 1971DH
liquid30.31cal/mol*KN/AKelley, 1929DH
liquid31.00cal/mol*KN/AParks, Kelley, et al., 1929Extrapolation below 90 K, 34.3 J/mol*K. Revision of previous data.; DH
liquid32.60cal/mol*KN/AParks, 1925Extrapolation below 90 K, 40.75 J/mol*K.; DH
Quantity Value Units Method Reference Comment
solid,1 bar0.2670cal/mol*KN/AAhlberg, Blanchard, et al., 1937DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
19.0298.15Filatov and Afanas'ev, 1992DH
19.39298.15Khasanshin and Zykova, 1989T = 175 to 338 K. Unsmoothed experimental datum.; DH
19.18298.15Andreoli-Ball, Patterson, et al., 1988DH
19.20298.15Okano, Ogawa, et al., 1988DH
19.4298.15Lankford and Criss, 1987DH
19.44298.Korolev, Kukharenko, et al., 1986DH
19.19298.15Ogawa and Murakami, 1986DH
19.49298.15Tanaka, Toyama, et al., 1986DH
19.17298.15Costas and Patterson, 1985T = 298.15, 313.15 K.; DH
19.47298.15Zegers and Somsen, 1984DH
18.86288.15Benson and D'Arcy, 1982DH
19.58298.15Villamanan, Casanova, et al., 1982DH
19.3293.15Atalla, El-Sharkawy, et al., 1981DH
19.39298.15Carlson and Westrum, 1971T = 5 to 332 K.; DH
20.0298.Deshpande and Bhatagadde, 1971T = 298 to 318 K.; DH
20.5313.2Paz Andrade, Paz, et al., 1970DH
20.5298.2Katayama, 1962T = 10 to 60°C.; DH
19.3311.Swietoslawski and Zielenkiewicz, 1960Mean value 21 to 56°C.; DH
20.6323.Hough, Mason, et al., 1950T = 323 to 353 K.; DH
18.11270.Staveley and Gupta, 1949T = 90 to 270 K.; DH
20.7300.8Phillip, 1939DH
19.97313.15Fiock, Ginnings, et al., 1931T = 40 to 110°C.; DH
19.1292.0Kelley, 1929T = 16 to 293 K. Value is unsmoothed experimental datum.; DH
18.7270.Mitsukuri and Hara, 1929T = 190 to 270 K.; DH
19.1290.1Parks, 1925T = 89 to 290 K. Value is unsmoothed experimental datum.; DH
19.9298.von Reis, 1881T = 288 to 335 K.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
16.35120.Sugisaki, Suga, et al., 1968glass phase; T = 20 to 120 K.; DH
1.2920.5Ahlberg, Blanchard, et al., 1937T = 5 to 28 K.; DH
25.1173.Maass and Walbauer, 1925T = 93 to 173 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil337.8 ± 0.3KAVGN/AAverage of 154 out of 171 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus176. ± 1.KAVGN/AAverage of 13 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple175.5 ± 0.5KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tc513. ± 1.KAVGN/AAverage of 27 out of 31 values; Individual data points
Quantity Value Units Method Reference Comment
Pc79. ± 1.atmAVGN/AAverage of 17 out of 20 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.117l/molN/AGude and Teja, 1995 
Vc0.113024l/molN/ACraven and de Reuck, 1986TRC
Vc0.118l/molN/AFrancesconi, Lentz, et al., 1981Uncertainty assigned by TRC = 0.004 l/mol; TRC
Vc0.11663l/molN/AZubarev and Bagdonas, 1969Uncertainty assigned by TRC = 0.0035 l/mol; TRC
Quantity Value Units Method Reference Comment
ρc8.51 ± 0.07mol/lAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δvap9.0 ± 0.1kcal/molAVGN/AAverage of 11 out of 12 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
8.415337.7N/AMajer and Svoboda, 1985 
9.37258.AStephenson and Malanowski, 1987Based on data from 175. to 273. K.; AC
8.82353.AStephenson and Malanowski, 1987Based on data from 338. to 487. K.; AC
10.4213.AStephenson and Malanowski, 1987Based on data from 188. to 228. K.; AC
9.30275.AStephenson and Malanowski, 1987Based on data from 224. to 290. K.; AC
9.15300.AStephenson and Malanowski, 1987Based on data from 285. to 345. K.; AC
8.84350.AStephenson and Malanowski, 1987Based on data from 335. to 376. K.; AC
8.63388.AStephenson and Malanowski, 1987Based on data from 373. to 458. K.; AC
8.39468.AStephenson and Malanowski, 1987Based on data from 453. to 513. K.; AC
7.82373.CYerlett and Wormald, 1986AC
6.72423.CYerlett and Wormald, 1986AC
4.92473.CYerlett and Wormald, 1986AC
1.8510.CYerlett and Wormald, 1986AC
8.96331.EBCervenkova and Boublik, 1984Based on data from 316. to 336. K.; AC
9.15303.N/AGibbard and Creek, 1974Based on data from 288. to 337. K. See also Boublik, Fried, et al., 1984.; AC
8.41 ± 0.02338.CCounsell and Lee, 1973AC
8.51 ± 0.02331.CCounsell and Lee, 1973AC
8.65 ± 0.02321.CCounsell and Lee, 1973AC
8.84 ± 0.02306.CCounsell and Lee, 1973AC
8.77 ± 0.02313.CSvoboda, Veselý, et al., 1973AC
8.65 ± 0.02323.CSvoboda, Veselý, et al., 1973AC
8.51 ± 0.02333.CSvoboda, Veselý, et al., 1973AC
8.44 ± 0.02338.CSvoboda, Veselý, et al., 1973AC
8.29 ± 0.02343.CSvoboda, Veselý, et al., 1973AC
8.84352.N/AWilhoit and Zwolinski, 1973Based on data from 337. to 383. K.; AC
9.25290.EBBoublík and Aim, 1972Based on data from 275. to 336. K. See also Stephenson and Malanowski, 1987.; AC
9.15303.EBAmbrose and Sprake, 1970Based on data from 288. to 357. K.; AC
8.68368.N/AHirata, Suda, et al., 1967Based on data from 353. to 483. K.; AC
9.18293.N/AKlyueva, Mischenko, et al., 1960Based on data from 278. to 323. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-αTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) 298. to 477.
A (kcal/mol) 10.8
α -0.31
β 0.4241
Tc (K) 512.6
ReferenceMajer and Svoboda, 1985

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
353.5 to 512.635.152821569.613-34.846Ambrose, Sprake, et al., 1975Coefficents calculated by NIST from author's data.
288.1 to 356.835.198381581.341-33.50Ambrose and Sprake, 1970Coefficents calculated by NIST from author's data.
353. to 483.5.307301676.569-21.728Hirata and Suda, 1967Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
0.760175.3Domalski and Hearing, 1996AC
0.5249176.Maass and Walbauer, 1925DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
2.99176.Maass and Walbauer, 1925DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
0.88161.1Domalski and Hearing, 1996CAL
4.33175.3
0.96157.3
4.37175.6

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.1520157.34crystaline, IIcrystaline, ICarlson and Westrum, 1971DH
0.76850175.59crystaline, IliquidCarlson and Westrum, 1971DH
0.3681103.crystalineglassSugisaki, Suga, et al., 1968Glass transition.; DH
0.170157.8crystaline, IIcrystaline, IStaveley and Gupta, 1949DH
0.7550175.4crystaline, IliquidStaveley and Gupta, 1949DH
0.1543157.4crystaline, IIcrystaline, IKelley, 1929DH
0.7569175.2crystaline, IliquidKelley, 1929DH
0.141161.1crystaline, IIcrystaline, IParks, 1925DH
0.7591175.3crystaline, IliquidParks, 1925DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.966157.34crystaline, IIcrystaline, ICarlson and Westrum, 1971DH
4.376175.59crystaline, IliquidCarlson and Westrum, 1971DH
3.573103.crystalineglassSugisaki, Suga, et al., 1968Glass; DH
1.08157.8crystaline, IIcrystaline, IStaveley and Gupta, 1949DH
4.304175.4crystaline, IliquidStaveley and Gupta, 1949DH
0.980157.4crystaline, IIcrystaline, IKelley, 1929DH
4.321175.2crystaline, IliquidKelley, 1929DH
0.875161.1crystaline, IIcrystaline, IParks, 1925DH
4.331175.3crystaline, IliquidParks, 1925DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, 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
Δr17. ± 3.kcal/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Δr22.6cal/mol*KHPMSEvans and Keesee, 1991gas phase; M
Δr24.1cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Δr22.0cal/mol*KPHPMSSieck, 1985gas phase; M
Δr22.9cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Δr14.8cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr10.1 ± 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
Δr382. ± 2.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr376.02 ± 0.62kcal/molH-TSNee, Osterwalder, et al., 2006gas phase; B
Δr376.04 ± 0.55kcal/molH-TSOsborn, Leahy, et al., 1998gas phase; B
Δr374.0 ± 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
Δr374.6 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Δr375.10 ± 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
Δr32.6kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr32.3kcal/molPHPMSSzulejko and McMahon, 1992gas phase; M
Δr32.1kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; M
Δr33.1kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Δr33.7kcal/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
Δr29.0cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr29.2cal/mol*KPHPMSSzulejko and McMahon, 1992gas phase; M
Δr26.6cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; M
Δr30.5cal/mol*KPHPMSGrimsrud and Kebarle, 1973gas phase; M
Δr28.5cal/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
Δr25.2kcal/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
Δr29.3 ± 1.0kcal/molTDAsPaul and Kebarle, 1990gas phase; B,M
Δr28.80 ± 0.30kcal/molTDAsMeot-ner and Sieck, 1986gas phase; B,M
Δr29.4 ± 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
Δr19.0 ± 2.0kcal/molN/AMoylan, Dodd, et al., 1985gas phase; B
Quantity Value Units Method Reference Comment
Δr31.8cal/mol*KPHPMSPaul and Kebarle, 1990gas phase; M
Δr26.7cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr20.30kcal/molIMREMustanir, Matsuoka, et al., 2006gas phase; B
Δr19.8 ± 1.0kcal/molTDAsPaul and Kebarle, 1990gas phase; B
Δr20.80 ± 0.50kcal/molTDAsMeot-ner and Sieck, 1986gas phase; B
Δr20.3 ± 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
Δr25.5 ± 1.0kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B,M
Δr23.4 ± 2.2kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Δr26.0 ± 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
Δr27.9cal/mol*KN/AMeot-Ner and Sieck, 1986gas phase; Entropy change calculated or estimated; M
Δr29.3cal/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
Δr10.20kcal/molIMREMustanir, Matsuoka, et al., 2006gas phase; B
Δr17.1 ± 1.6kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B
Δr17.3 ± 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
Δr27.3 ± 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
Δr25.6 ± 1.9kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr29.3cal/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
Δr18.6 ± 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
Δr14.10 ± 0.40kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr13.70 ± 0.20kcal/molTDAsEvans and Keesee, 1991gas phase; B,M
Δr14.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Δr13.00 ± 0.70kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
Δr24.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Δr22.0cal/mol*KHPMSEvans and Keesee, 1991gas phase; M
Δr19.4cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr7.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr7.10kcal/molTDAsEvans and Keesee, 1991gas phase; B
Δr6.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr7.20 ± 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
Δr11.50 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr10.80 ± 0.30kcal/molTDAsEvans and Keesee, 1991gas phase; B,M
Δr11.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Δr12.30 ± 0.60kcal/molN/AYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Δr22.7cal/mol*KHPMSEvans and Keesee, 1991gas phase; M
Δr23.6cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr5.06kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr4.00kcal/molTDAsEvans and Keesee, 1991gas phase; B
Δr4.9 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr5.20 ± 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
Δr21.5 ± 2.0kcal/molIMREChabinyc and Brauman, 1999gas phase; B
Δr21.4 ± 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
Δr29.3cal/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
Δr11.0 ± 2.0kcal/molIMREChabinyc and Brauman, 1999gas phase; B
Δr12.7 ± 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
Δr15.70 ± 0.80kcal/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
Δr16.6 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Δr16.5 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
Δr24.3cal/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
Δr8.80 ± 0.20kcal/molTDAsLarson, Szulejko, et al., 1988gas phase; B
Δr10.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Δr9.2 ± 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
Δr36.8 ± 1.9kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr38.1kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H20, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M
Δr38.kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
Δr26.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
Δr30.3kcal/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
Δr11.90 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr11.3 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Δr11.2kcal/molPHPMSHiraoka and Yamabe, 1991gas phase; M
Δr11.kcal/molPHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr17.1cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Δr17.8cal/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr5.76kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr6.0 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B
Δr5.7 ± 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
Δr30.3kcal/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
Δr26.9cal/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
Δr22.3kcal/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
Δr29.6kcal/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
Δr26.6cal/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
Δr21.7kcal/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
Δr26.9 ± 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
Δr29.3cal/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
Δr18.2 ± 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
Δr29.6 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
Δr29.4 ± 2.2kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Δr23.3 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.0cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Δr22.6cal/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
Δr22.8 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
Δr15.8 ± 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
Δr10.5 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Δr10.50kcal/molTDAsEvans and Keesee, 1991gas phase; B
Δr11.20 ± 0.60kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Δr26.4cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr3.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr3.70kcal/molTDAsEvans and Keesee, 1991gas phase; B
Δr3.30 ± 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
Δr14.50 ± 0.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr13.9 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr17.6cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr8.00 ± 0.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr8.7 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B
Δr8.4 ± 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
Δr39.2kcal/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr29.7cal/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
Δr23.2 ± 1.3kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr21.9 ± 1.4kcal/molCIDTArmentrout and Rodgers, 2000RCD
Δr24.0 ± 0.2kcal/molHPMSHoyau, Norrman, et al., 1999RCD
Δr26.6 ± 0.2kcal/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr20500.cal/mol*KHPMSHoyau, Norrman, et al., 1999RCD
Δr24.3cal/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
Δr9.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Δr10.50 ± 0.50kcal/molN/AYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.7cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Δr25.5cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr2.7 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr2.90 ± 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
Δr4.86 ± 0.01kcal/molCmWiberg, Morgan, et al., 1994liquid phase; ALS
Δr4.88 ± 0.01kcal/molCmWiberg and Squires, 1979liquid phase; Heat of hydrolysis; ALS
Δr4.8836 ± 0.0067kcal/molCmWiberg and Squires, 1979, 2liquid phase; solvent: Water; Hydrolysis; ALS
Δr-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
Δr21.2kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr21.0kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; M
Δr21.3kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr27.0cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr25.8cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; M
Δr28.2cal/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
Δr25.7 ± 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
Δr17.0 ± 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
Δr21.9 ± 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
Δr13.2 ± 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
Δr13.8kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
Δr25.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
Δr6.3kcal/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
Δr9.1kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.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
Δr9.3kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.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
Δr9.4kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.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
Δr24.5kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr29.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
Δr15.10 ± 0.20kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.1cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr7.30 ± 0.40kcal/molTDAsSieck, 1985gas phase; B
Δr6.3 ± 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
Δr13.4kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
Δr25.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
Δr5.9kcal/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
Δr20.30 ± 0.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr19.3 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.2cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr12.97kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr12.4 ± 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
Δr15.10 ± 0.60kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr14.5 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.2cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr8.06kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr8.2 ± 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
Δr9.50 ± 0.50kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr10.6 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.6cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr4.25kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr4.2 ± 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
Δr12.00 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr12.5 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr20.7cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr5.62kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr6.3 ± 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
Δr7.70 ± 0.60kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr9.8 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.4cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr3.41kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr3.1 ± 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
Δr9.50 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr11.1 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.6cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr4.25kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr4.4 ± 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
Δr7.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr1.3 ± 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
Δr20.5 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr21.4 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr20.5 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr20.2 ± 0.2kcal/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr21.7cal/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
Δr10.40 ± 0.20kcal/molTDAsEvans and Keesee, 1991gas phase; B
Δr11.40 ± 0.30kcal/molTDAsEvans and Keesee, 1991gas phase; For solvation by MeOH of core ion; B
Quantity Value Units Method Reference Comment
Δr5.80kcal/molTDAsEvans and Keesee, 1991gas phase; B
Δr6.00kcal/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
Δr17.2kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M
Quantity Value Units Method Reference Comment
Δr28.6cal/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
Δr13.7kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M
Quantity Value Units Method Reference Comment
Δr30.8cal/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
Δr14.0kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr16.1kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr24.0cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr28.9cal/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
Δr11.3kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr13.5kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr22.3cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr28.7cal/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
Δr10.2kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr12.5kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr23.5cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr31.1cal/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
Δr21.9kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n, note proton affinities, core ion may be (CH3)2OH+; M
Quantity Value Units Method Reference Comment
Δr25.2cal/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
Δr9.3kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr11.9kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr23.5cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr32.9cal/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
Δr9.0kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr12.0kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr25.7cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr35.7cal/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
Δr8.5 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; Entropy estimated.; B,M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AHiraoka and Yamabe, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr1.1 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; Entropy estimated.; B

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
140. QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
220. XN/A 
220.5200.MN/A 
220. XN/AValue given here as quoted by missing citation.
160.5600.XN/A 
230. MN/A 
210. M,XTimmermans, 1960Value given here as quoted by missing citation.
230. MButler, Ramchandani, et al., 1935This paper supersedes earlier work with more concentrated solutions Butler, Thomson, et al., 1933.

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, 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
Δr382. ± 2.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr376.02 ± 0.62kcal/molH-TSNee, Osterwalder, et al., 2006gas phase; B
Δr376.04 ± 0.55kcal/molH-TSOsborn, Leahy, et al., 1998gas phase; B
Δr374.0 ± 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
Δr374.6 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Δr375.10 ± 0.60kcal/molTDEqMeot-ner and Sieck, 1986gas phase; Experimental entropy: 21.5 eu, 0.6 less than H2O; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

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

By formula: Br- + CH4O = (Br- • CH4O)

Quantity Value Units Method Reference Comment
Δr14.50 ± 0.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr13.9 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr17.6cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr8.00 ± 0.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr8.7 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B
Δr8.4 ± 2.0kcal/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

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

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

Quantity Value Units Method Reference Comment
Δr12.00 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr12.5 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr20.7cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr5.62kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr6.3 ± 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
Δr9.50 ± 0.50kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr10.6 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.6cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr4.25kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr4.2 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr9.9 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.2cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr3.0 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr9.8 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.2cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr2.3 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

(Bromine anion • 5Methyl Alcohol) + Methyl Alcohol = (Bromine anion • 6Methyl Alcohol)

By formula: (Br- • 5CH4O) + CH4O = (Br- • 6CH4O)

Quantity Value Units Method Reference Comment
Δr9.1 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.6cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr2.1 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

(Bromine anion • 6Methyl Alcohol) + Methyl Alcohol = (Bromine anion • 7Methyl Alcohol)

By formula: (Br- • 6CH4O) + CH4O = (Br- • 7CH4O)

Quantity Value Units Method Reference Comment
Δr8.5 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.9cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr1.7 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

(Bromine anion • 7Methyl Alcohol) + Methyl Alcohol = (Bromine anion • 8Methyl Alcohol)

By formula: (Br- • 7CH4O) + CH4O = (Br- • 8CH4O)

Quantity Value Units Method Reference Comment
Δr8.4 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.1cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr1.5 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

(Bromine anion • 8Methyl Alcohol) + Methyl Alcohol = (Bromine anion • 9Methyl Alcohol)

By formula: (Br- • 8CH4O) + CH4O = (Br- • 9CH4O)

Quantity Value Units Method Reference Comment
Δr8.2 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; Entropy estimated.; B,M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/AHiraoka and Yamabe, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr1.3 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; Entropy estimated.; B

(Bromine anion • 9Methyl Alcohol) + Methyl Alcohol = (Bromine anion • 10Methyl Alcohol)

By formula: (Br- • 9CH4O) + CH4O = (Br- • 10CH4O)

Quantity Value Units Method Reference Comment
Δr8.0 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; Entropy estimated.; B,M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/AHiraoka and Yamabe, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr1.1 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; Entropy estimated.; B

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

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

Quantity Value Units Method Reference Comment
Δr28.8kcal/molPHPMSMeot-ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr26.7cal/mol*KPHPMSMeot-ner and Sieck, 1986gas phase; M

HCO2 anion + Methyl Alcohol = (HCO2 anion • Methyl Alcohol)

By formula: CHO2- + CH4O = (CHO2- • CH4O)

Quantity Value Units Method Reference Comment
Δr17.6 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.6cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr10.5 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr29.3 ± 1.0kcal/molTDAsPaul and Kebarle, 1990gas phase; B,M
Δr28.80 ± 0.30kcal/molTDAsMeot-ner and Sieck, 1986gas phase; B,M
Δr29.4 ± 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
Δr19.0 ± 2.0kcal/molN/AMoylan, Dodd, et al., 1985gas phase; B
Quantity Value Units Method Reference Comment
Δr31.8cal/mol*KPHPMSPaul and Kebarle, 1990gas phase; M
Δr26.7cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr20.30kcal/molIMREMustanir, Matsuoka, et al., 2006gas phase; B
Δr19.8 ± 1.0kcal/molTDAsPaul and Kebarle, 1990gas phase; B
Δr20.80 ± 0.50kcal/molTDAsMeot-ner and Sieck, 1986gas phase; B
Δr20.3 ± 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

(CH3O- • Methyl Alcohol) + Methyl Alcohol = (CH3O- • 2Methyl Alcohol)

By formula: (CH3O- • CH4O) + CH4O = (CH3O- • 2CH4O)

Quantity Value Units Method Reference Comment
Δr21.4kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr27.8cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

(CH3O- • 2Methyl Alcohol) + Methyl Alcohol = (CH3O- • 3Methyl Alcohol)

By formula: (CH3O- • 2CH4O) + CH4O = (CH3O- • 3CH4O)

Quantity Value Units Method Reference Comment
Δr15.0kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr26.3cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

(CH3O- • 3Methyl Alcohol) + Methyl Alcohol = (CH3O- • 4Methyl Alcohol)

By formula: (CH3O- • 3CH4O) + CH4O = (CH3O- • 4CH4O)

Quantity Value Units Method Reference Comment
Δr11.4kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr22.4cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

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

By formula: (CH3O- • H2O) + CH4O = (CH3O- • CH4O • H2O)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
13.7296.FAMacKay and Bohme, 1978gas phase; From thermochemical cycle,switching reaction(CH3O-)2H2O; Meot-Ner(Mautner), 1986; M

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
Δr32.6kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr32.3kcal/molPHPMSSzulejko and McMahon, 1992gas phase; M
Δr32.1kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; M
Δr33.1kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Δr33.7kcal/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
Δr29.0cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr29.2cal/mol*KPHPMSSzulejko and McMahon, 1992gas phase; M
Δr26.6cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; M
Δr30.5cal/mol*KPHPMSGrimsrud and Kebarle, 1973gas phase; M
Δr28.5cal/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
Δr25.2kcal/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

(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
Δr21.2kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr21.0kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; M
Δr21.3kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr27.0cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr25.8cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; M
Δr28.2cal/mol*KPHPMSGrimsrud and Kebarle, 1973gas phase; 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
Δr14.0kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr16.1kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr24.0cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr28.9cal/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
Δr11.3kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr13.5kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr22.3cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr28.7cal/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
Δr10.2kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr12.5kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr23.5cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr31.1cal/mol*KPHPMSGrimsrud and Kebarle, 1973gas phase; 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
Δr9.3kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr11.9kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr23.5cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr32.9cal/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
Δr9.0kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr12.0kcal/molPHPMSGrimsrud and Kebarle, 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr25.7cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr35.7cal/mol*KPHPMSGrimsrud and Kebarle, 1973gas phase; M

(CH5O+ • 7Methyl Alcohol) + Methyl Alcohol = (CH5O+ • 8Methyl Alcohol)

By formula: (CH5O+ • 7CH4O) + CH4O = (CH5O+ • 8CH4O)

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

Quantity Value Units Method Reference Comment
Δr9.4kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr26.9cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

(CH5O+ • 8Methyl Alcohol) + Methyl Alcohol = (CH5O+ • 9Methyl Alcohol)

By formula: (CH5O+ • 8CH4O) + CH4O = (CH5O+ • 9CH4O)

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

Quantity Value Units Method Reference Comment
Δr9.1kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr26.cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.9200.PHPMSMeot-Ner (Mautner), 1992gas phase; M

(CH5O+ • 9Methyl Alcohol) + Methyl Alcohol = (CH5O+ • 10Methyl Alcohol)

By formula: (CH5O+ • 9CH4O) + CH4O = (CH5O+ • 10CH4O)

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

Quantity Value Units Method Reference Comment
Δr8.7kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr26.cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.5200.PHPMSMeot-Ner (Mautner), 1992gas phase; M

(CH5O+ • 10Methyl Alcohol) + Methyl Alcohol = (CH5O+ • 11Methyl Alcohol)

By formula: (CH5O+ • 10CH4O) + CH4O = (CH5O+ • 11CH4O)

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

Quantity Value Units Method Reference Comment
Δr8.6kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr26.cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.8184.PHPMSMeot-Ner (Mautner), 1992gas phase; M

(CH5O+ • 11Methyl Alcohol) + Methyl Alcohol = (CH5O+ • 12Methyl Alcohol)

By formula: (CH5O+ • 11CH4O) + CH4O = (CH5O+ • 12CH4O)

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

Quantity Value Units Method Reference Comment
Δr8.5kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr26.cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.7184.PHPMSMeot-Ner (Mautner), 1992gas phase; M

(CH5O+ • 12Methyl Alcohol) + Methyl Alcohol = (CH5O+ • 13Methyl Alcohol)

By formula: (CH5O+ • 12CH4O) + CH4O = (CH5O+ • 13CH4O)

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

Quantity Value Units Method Reference Comment
Δr8.6kcal/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr26.cal/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.8184.PHPMSMeot-Ner (Mautner), 1992gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
Δr16.4kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr26.5cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; 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
Δr24.5kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr29.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

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

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

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

Quantity Value Units Method Reference Comment
Δr18.0kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr26.3cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

CH6N+ + Methyl Alcohol = (CH6N+ • Methyl Alcohol)

By formula: CH6N+ + CH4O = (CH6N+ • CH4O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Δr19.0kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr24.2cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

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

By formula: CN- + CH4O = (CN- • CH4O)

Quantity Value Units Method Reference Comment
Δr15.70 ± 0.80kcal/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
Δr16.6 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Δr16.5 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
Δr24.3cal/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
Δr8.80 ± 0.20kcal/molTDAsLarson, Szulejko, et al., 1988gas phase; B
Δr10.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Δr9.2 ± 2.3kcal/molIMRELarson and McMahon, 1987gas phase; B,M

C2H- + Methyl Alcohol = C3H5O-

By formula: C2H- + CH4O = C3H5O-

Quantity Value Units Method Reference Comment
Δr21.6 ± 2.0kcal/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH ΔGacid=375.2; B
Quantity Value Units Method Reference Comment
Δr10.90kcal/molIMREMustanir, Matsuoka, et al., 2006gas phase; B
Δr11.6 ± 2.0kcal/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH ΔGacid=375.2; B

MeCO2 anion + Methyl Alcohol = (MeCO2 anion • Methyl Alcohol)

By formula: C2H3O2- + CH4O = (C2H3O2- • CH4O)

Quantity Value Units Method Reference Comment
Δr17.6 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr10.5 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

(C2H4N+ • Methyl Alcohol) + Methyl Alcohol = (C2H4N+ • 2Methyl Alcohol)

By formula: (C2H4N+ • CH4O) + CH4O = (C2H4N+ • 2CH4O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Δr20.9kcal/molPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr26.0cal/mol*KPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase; M

(C2H4N+ • 2Methyl Alcohol) + Methyl Alcohol = (C2H4N+ • 3Methyl Alcohol)

By formula: (C2H4N+ • 2CH4O) + CH4O = (C2H4N+ • 3CH4O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Δr13.9kcal/molPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr24.4cal/mol*KPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase; M

(C2H4N+ • Methyl Alcohol • Acetonitrile) + Methyl Alcohol = (C2H4N+ • 2Methyl Alcohol • Acetonitrile)

By formula: (C2H4N+ • CH4O • C2H3N) + CH4O = (C2H4N+ • 2CH4O • C2H3N)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Δr13.7kcal/molPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr24.1cal/mol*KPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase; M

C2H4NO2- + Methyl Alcohol = C3H8NO3-

By formula: C2H4NO2- + CH4O = C3H8NO3-

Quantity Value Units Method Reference Comment
Δr17.00 ± 0.50kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B
Quantity Value Units Method Reference Comment
Δr9.5 ± 1.0kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; 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
Δr30.3kcal/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
Δr26.9cal/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
Δr22.3kcal/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

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

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

Quantity Value Units Method Reference Comment
Δr27.3 ± 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
Δr25.6 ± 1.9kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr29.3cal/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
Δr18.6 ± 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

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
Δr26.3kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr27.1cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ • Methyl Alcohol) + Methyl Alcohol = (C2H7O+ • 2Methyl Alcohol)

By formula: (C2H7O+ • CH4O) + CH4O = (C2H7O+ • 2CH4O)

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

Quantity Value Units Method Reference Comment
Δr18.8kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr28.9cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ • 2Methyl Alcohol) + Methyl Alcohol = (C2H7O+ • 3Methyl Alcohol)

By formula: (C2H7O+ • 2CH4O) + CH4O = (C2H7O+ • 3CH4O)

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

Quantity Value Units Method Reference Comment
Δr15.9kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr31.2cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ • 3Methyl Alcohol) + Methyl Alcohol = (C2H7O+ • 4Methyl Alcohol)

By formula: (C2H7O+ • 3CH4O) + CH4O = (C2H7O+ • 4CH4O)

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

Quantity Value Units Method Reference Comment
Δr13.7kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr30.8cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ • Methyl Alcohol • Dimethyl ether) + Methyl Alcohol = (C2H7O+ • 2Methyl Alcohol • Dimethyl ether)

By formula: (C2H7O+ • CH4O • C2H6O) + CH4O = (C2H7O+ • 2CH4O • C2H6O)

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

Quantity Value Units Method Reference Comment
Δr15.1kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr30.6cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ • 2Methyl Alcohol • Dimethyl ether) + Methyl Alcohol = (C2H7O+ • 3Methyl Alcohol • Dimethyl ether)

By formula: (C2H7O+ • 2CH4O • C2H6O) + CH4O = (C2H7O+ • 3CH4O • C2H6O)

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

Quantity Value Units Method Reference Comment
Δr12.2kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr26.5cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

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

By formula: (C2H7O+ • C2H6O) + CH4O = (C2H7O+ • CH4O • C2H6O)

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

Quantity Value Units Method Reference Comment
Δr18.1kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr30.6cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; 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
Δr29.6kcal/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
Δr26.6cal/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
Δr21.7kcal/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

C2H7O2- + 2Methyl Alcohol = C3H11O3-

By formula: C2H7O2- + 2CH4O = C3H11O3-

Quantity Value Units Method Reference Comment
Δr21.4 ± 1.0kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr13.10 ± 0.50kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B

C2H7O2- + Water + Methyl Alcohol = C2H9O3-

By formula: C2H7O2- + H2O + CH4O = C2H9O3-

Quantity Value Units Method Reference Comment
Δr17.8 ± 1.0kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr10.10 ± 0.50kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B

C2H9O3- + 2Water + Methyl Alcohol = C2H11O4-

By formula: C2H9O3- + 2H2O + CH4O = C2H11O4-

Quantity Value Units Method Reference Comment
Δr15.2 ± 1.0kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr6.90 ± 0.50kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B

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

By formula: C3H3N2- + CH4O = (C3H3N2- • CH4O)

Quantity Value Units Method Reference Comment
Δr17.1kcal/molPHPMSMeot-Ner (Mautner), 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr24.2cal/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
Δr13.1kcal/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr21.3cal/mol*KPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr26.9 ± 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
Δr29.3cal/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
Δr18.2 ± 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

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

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

Quantity Value Units Method Reference Comment
Δr39.2kcal/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr29.7cal/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

C3H9Sn+ + Methyl Alcohol = (C3H9Sn+ • Methyl Alcohol)

By formula: C3H9Sn+ + CH4O = (C3H9Sn+ • CH4O)

Quantity Value Units Method Reference Comment
Δr32.6kcal/molPHPMSStone and Splinter, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr32.cal/mol*KPHPMSStone and Splinter, 1984gas phase; M

C3H10N+ + Methyl Alcohol = (C3H10N+ • Methyl Alcohol)

By formula: C3H10N+ + CH4O = (C3H10N+ • CH4O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Δr15.1kcal/molPHPMSEl-Shall, Daly, et al., 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr21.0cal/mol*KPHPMSEl-Shall, Daly, et al., 1992gas phase; M

(C3H10N+ • Methyl Alcohol) + Methyl Alcohol = (C3H10N+ • 2Methyl Alcohol)

By formula: (C3H10N+ • CH4O) + CH4O = (C3H10N+ • 2CH4O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Δr11.7kcal/molPHPMSEl-Shall, Daly, et al., 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr23.8cal/mol*KPHPMSEl-Shall, Daly, et al., 1992gas phase; M

(C3H10N+ • 2Methyl Alcohol) + Methyl Alcohol = (C3H10N+ • 3Methyl Alcohol)

By formula: (C3H10N+ • 2CH4O) + CH4O = (C3H10N+ • 3CH4O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Δr10.5kcal/molPHPMSEl-Shall, Daly, et al., 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr27.0cal/mol*KPHPMSEl-Shall, Daly, et al., 1992gas phase; M

(C3H10N+ • Methyl Alcohol • Methylamine, N,N-dimethyl-) + Methyl Alcohol = (C3H10N+ • 2Methyl Alcohol • Methylamine, N,N-dimethyl-)

By formula: (C3H10N+ • CH4O • C3H9N) + CH4O = (C3H10N+ • 2CH4O • C3H9N)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Δr9.5kcal/molPHPMSEl-Shall, Daly, et al., 1992gas phase; M

(C3H10N+ • Methylamine, N,N-dimethyl-) + Methyl Alcohol = (C3H10N+ • Methyl Alcohol • Methylamine, N,N-dimethyl-)

By formula: (C3H10N+ • C3H9N) + CH4O = (C3H10N+ • CH4O • C3H9N)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Δr10.6kcal/molPHPMSEl-Shall, Daly, et al., 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr25.2cal/mol*KPHPMSEl-Shall, Daly, et al., 1992gas phase; M

C3H11O3- + 3Methyl Alcohol = C4H15O4-

By formula: C3H11O3- + 3CH4O = C4H15O4-

Quantity Value Units Method Reference Comment
Δr15.0 ± 1.0kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr7.20 ± 0.50kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B

C3H11O3- + Water + 2Methyl Alcohol = C3H13O4-

By formula: C3H11O3- + H2O + 2CH4O = C3H13O4-

Quantity Value Units Method Reference Comment
Δr13.8 ± 1.0kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr6.40 ± 0.50kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B

C4H2O3- + Methyl Alcohol = (C4H2O3- • Methyl Alcohol)

By formula: C4H2O3- + CH4O = (C4H2O3- • CH4O)

Quantity Value Units Method Reference Comment
Δr4.7 ± 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
4.7343.PHPMSChowdhury, 1987gas phase; M

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

By formula: C4H4N- + CH4O = (C4H4N- • CH4O)

Quantity Value Units Method Reference Comment
Δr18.6 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Δr27.5cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr10.4 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr25.5 ± 1.0kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B,M
Δr23.4 ± 2.2kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Δr26.0 ± 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
Δr27.9cal/mol*KN/AMeot-Ner and Sieck, 1986gas phase; Entropy change calculated or estimated; M
Δr29.3cal/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
Δr10.20kcal/molIMREMustanir, Matsuoka, et al., 2006gas phase; B
Δr17.1 ± 1.6kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B
Δr17.3 ± 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

C4H11O2+ + Methyl Alcohol = (C4H11O2+ • Methyl Alcohol)

By formula: C4H11O2+ + CH4O = (C4H11O2+ • CH4O)

Bond type: Hydrogen bonds between protonated and neutral organics

Quantity Value Units Method Reference Comment
Δr22.0kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr28.3cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C4H11O2+ • Methyl Alcohol) + Methyl Alcohol = (C4H11O2+ • 2Methyl Alcohol)

By formula: (C4H11O2+ • CH4O) + CH4O = (C4H11O2+ • 2CH4O)

Bond type: Hydrogen bonds between protonated and neutral organics

Quantity Value Units Method Reference Comment
Δr14.4kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr23.6cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C4H11O2+ • 2Methyl Alcohol) + Methyl Alcohol = (C4H11O2+ • 3Methyl Alcohol)

By formula: (C4H11O2+ • 2CH4O) + CH4O = (C4H11O2+ • 3CH4O)

Bond type: Hydrogen bonds between protonated and neutral organics

Quantity Value Units Method Reference Comment
Δr12.6kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr25.0cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C4H11O2+ • 3Methyl Alcohol) + Methyl Alcohol = (C4H11O2+ • 4Methyl Alcohol)

By formula: (C4H11O2+ • 3CH4O) + CH4O = (C4H11O2+ • 4CH4O)

Bond type: Hydrogen bonds between protonated and neutral organics

Quantity Value Units Method Reference Comment
Δr10.2kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr22.3cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C4H11O2+ • 4Methyl Alcohol) + Methyl Alcohol = (C4H11O2+ • 5Methyl Alcohol)

By formula: (C4H11O2+ • 4CH4O) + CH4O = (C4H11O2+ • 5CH4O)

Bond type: Hydrogen bonds between protonated and neutral organics

Quantity Value Units Method Reference Comment
Δr9.2kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr22.2cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C4H11O2+ • 5Methyl Alcohol) + Methyl Alcohol = (C4H11O2+ • 6Methyl Alcohol)

By formula: (C4H11O2+ • 5CH4O) + CH4O = (C4H11O2+ • 6CH4O)

Bond type: Hydrogen bonds between protonated and neutral organics

Quantity Value Units Method Reference Comment
Δr8.9kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr24.0cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

C4H15O4- + 4Methyl Alcohol = C5H19O5-

By formula: C4H15O4- + 4CH4O = C5H19O5-

Quantity Value Units Method Reference Comment
Δr11.4 ± 1.0kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr4.70 ± 0.50kcal/molTDAsMeot-Ner(Mautner), 1986gas phase; B

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

By formula: C5H5- + CH4O = (C5H5- • CH4O)

Quantity Value Units Method Reference Comment
Δr13.2 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B
Quantity Value Units Method Reference Comment
Δr6.9 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr25.7 ± 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
Δr17.0 ± 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

C6F4O2- + Methyl Alcohol = (C6F4O2- • Methyl Alcohol)

By formula: C6F4O2- + CH4O = (C6F4O2- • CH4O)

Quantity Value Units Method Reference Comment
Δr3.0 ± 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
3.0343.PHPMSChowdhury, 1987gas phase; M

C6H4ClNO2- + Methyl Alcohol = (C6H4ClNO2- • Methyl Alcohol)

By formula: C6H4ClNO2- + CH4O = (C6H4ClNO2- • CH4O)

Quantity Value Units Method Reference Comment
Δr5.4 ± 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
5.4343.PHPMSChowdhury, 1987gas phase; M

C6H4ClNO2- + Methyl Alcohol = (C6H4ClNO2- • Methyl Alcohol)

By formula: C6H4ClNO2- + CH4O = (C6H4ClNO2- • CH4O)

Quantity Value Units Method Reference Comment
Δr5.4 ± 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
5.4343.PHPMSChowdhury, 1987gas phase; M

C6H4ClNO2- + Methyl Alcohol = (C6H4ClNO2- • Methyl Alcohol)

By formula: C6H4ClNO2- + CH4O = (C6H4ClNO2- • CH4O)

Quantity Value Units Method Reference Comment
Δr5.6 ± 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
5.6343.PHPMSChowdhury, 1987gas phase; M

C6H4FNO2- + Methyl Alcohol = (C6H4FNO2- • Methyl Alcohol)

By formula: C6H4FNO2- + CH4O = (C6H4FNO2- • CH4O)

Quantity Value Units Method Reference Comment
Δr5.8 ± 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
5.8343.PHPMSChowdhury, 1987gas phase; M

C6H4FNO2- + Methyl Alcohol = (C6H4FNO2- • Methyl Alcohol)

By formula: C6H4FNO2- + CH4O = (C6H4FNO2- • CH4O)

Quantity Value Units Method Reference Comment
Δr6.0 ± 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
6.0343.PHPMSChowdhury, 1987gas phase; M

C6H4FNO2- + Methyl Alcohol = (C6H4FNO2- • Methyl Alcohol)

By formula: C6H4FNO2- + CH4O = (C6H4FNO2- • CH4O)

Quantity Value Units Method Reference Comment
Δr15.8 ± 2.0kcal/molN/AChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B,M
Quantity Value Units Method Reference Comment
Δr29.8cal/mol*KPHPMSChowdhury, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr5.6 ± 2.0kcal/molTDAsChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C6H4NO3- + Methyl Alcohol = (C6H4NO3- • Methyl Alcohol)

By formula: C6H4NO3- + CH4O = (C6H4NO3- • CH4O)

Quantity Value Units Method Reference Comment
Δr5.0 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C6H4NO3- + Methyl Alcohol = (C6H4NO3- • Methyl Alcohol)

By formula: C6H4NO3- + CH4O = (C6H4NO3- • CH4O)

Quantity Value Units Method Reference Comment
Δr5.8 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C6H4N2O4- + Methyl Alcohol = (C6H4N2O4- • Methyl Alcohol)

By formula: C6H4N2O4- + CH4O = (C6H4N2O4- • CH4O)

Quantity Value Units Method Reference Comment
Δr2.3 ± 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
2.3343.PHPMSChowdhury, 1987gas phase; M

C6H4N2O4- + Methyl Alcohol = (C6H4N2O4- • Methyl Alcohol)

By formula: C6H4N2O4- + CH4O = (C6H4N2O4- • CH4O)

Quantity Value Units Method Reference Comment
Δr3.3 ± 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
3.3343.PHPMSChowdhury, 1987gas phase; M

C6H4N2O4- + Methyl Alcohol = (C6H4N2O4- • Methyl Alcohol)

By formula: C6H4N2O4- + CH4O = (C6H4N2O4- • CH4O)

Quantity Value Units Method Reference Comment
Δr3.8 ± 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
3.8343.PHPMSChowdhury, 1987gas phase; M

p-Benzoquinone anion + Methyl Alcohol = (p-Benzoquinone anion • Methyl Alcohol)

By formula: C6H4O2- + CH4O = (C6H4O2- • CH4O)

Quantity Value Units Method Reference Comment
Δr5.5 ± 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
5.5343.PHPMSChowdhury, 1987gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr15.10 ± 0.20kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.1cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr7.30 ± 0.40kcal/molTDAsSieck, 1985gas phase; B
Δr6.3 ± 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

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

By formula: C6H5S- + CH4O = (C6H5S- • CH4O)

Quantity Value Units Method Reference Comment
Δr13.4kcal/molPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr23.0cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M

thiophenoxide anion + Methyl Alcohol = C7H9OS-

By formula: C6H5S- + CH4O = C7H9OS-

Quantity Value Units Method Reference Comment
Δr13.40 ± 0.10kcal/molTDAsSieck and Meot-ner, 1989gas phase; B
Quantity Value Units Method Reference Comment
Δr6.50 ± 0.30kcal/molTDAsSieck and Meot-ner, 1989gas phase; B

C6H9- + Methyl Alcohol = C7H13O-

By formula: C6H9- + CH4O = C7H13O-

Quantity Value Units Method Reference Comment
Δr20.8 ± 2.0kcal/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH ΔGacid=375.2; B
Quantity Value Units Method Reference Comment
Δr11.50kcal/molIMREMustanir, Matsuoka, et al., 2006gas phase; B
Δr10.7 ± 2.0kcal/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH ΔGacid=375.2; B

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

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

Quantity Value Units Method Reference Comment
Δr21.9 ± 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
Δr13.2 ± 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

Perfluoro(methylcyclohexane) anion + Methyl Alcohol = (Perfluoro(methylcyclohexane) anion • Methyl Alcohol)

By formula: C7F14- + CH4O = (C7F14- • CH4O)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.4308.PHPMSKnighton, Zook, et al., 1990gas phase; M

C7H4F3NO2- + Methyl Alcohol = (C7H4F3NO2- • Methyl Alcohol)

By formula: C7H4F3NO2- + CH4O = (C7H4F3NO2- • CH4O)

Quantity Value Units Method Reference Comment
Δr14.6 ± 2.0kcal/molN/AChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B
Quantity Value Units Method Reference Comment
Δr4.9 ± 1.6kcal/molTDAsChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C7H4N2O2- + Methyl Alcohol = (C7H4N2O2- • Methyl Alcohol)

By formula: C7H4N2O2- + CH4O = (C7H4N2O2- • CH4O)

Quantity Value Units Method Reference Comment
Δr4.7 ± 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
4.7343.PHPMSChowdhury, 1987gas phase; M

C7H4N2O2- + Methyl Alcohol = (C7H4N2O2- • Methyl Alcohol)

By formula: C7H4N2O2- + CH4O = (C7H4N2O2- • CH4O)

Quantity Value Units Method Reference Comment
Δr4.5 ± 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
4.5343.PHPMSChowdhury, 1987gas phase; M

C7H4N2O2- + Methyl Alcohol = (C7H4N2O2- • Methyl Alcohol)

By formula: C7H4N2O2- + CH4O = (C7H4N2O2- • CH4O)

Quantity Value Units Method Reference Comment
Δr13.9 ± 2.0kcal/molN/AChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B,M
Quantity Value Units Method Reference Comment
Δr28.6cal/mol*KPHPMSChowdhury, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr4.1 ± 2.0kcal/molTDAsChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C7H7NO2- + Methyl Alcohol = (C7H7NO2- • Methyl Alcohol)

By formula: C7H7NO2- + CH4O = (C7H7NO2- • CH4O)

Quantity Value Units Method Reference Comment
Δr6.3 ± 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

C7H7NO2- + Methyl Alcohol = (C7H7NO2- • Methyl Alcohol)

By formula: C7H7NO2- + CH4O = (C7H7NO2- • CH4O)

Quantity Value Units Method Reference Comment
Δr6.5 ± 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
6.5343.PHPMSChowdhury, 1987gas phase; M

C7H7NO2- + Methyl Alcohol = (C7H7NO2- • Methyl Alcohol)

By formula: C7H7NO2- + CH4O = (C7H7NO2- • CH4O)

Quantity Value Units Method Reference Comment
Δr6.4 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C7H7NO3- + Methyl Alcohol = (C7H7NO3- • Methyl Alcohol)

By formula: C7H7NO3- + CH4O = (C7H7NO3- • CH4O)

Quantity Value Units Method Reference Comment
Δr6.1 ± 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
6.1343.PHPMSChowdhury, 1987gas phase; M

C7H7NO3- + Methyl Alcohol = (C7H7NO3- • Methyl Alcohol)

By formula: C7H7NO3- + CH4O = (C7H7NO3- • CH4O)

Quantity Value Units Method Reference Comment
Δr14.3 ± 2.0kcal/molN/AChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B,M
Quantity Value Units Method Reference Comment
Δr23.4cal/mol*KPHPMSChowdhury, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr6.3 ± 2.0kcal/molTDAsChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

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

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

Quantity Value Units Method Reference Comment
Δr21.5 ± 2.0kcal/molIMREChabinyc and Brauman, 1999gas phase; B
Δr21.4 ± 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
Δr29.3cal/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
Δr11.0 ± 2.0kcal/molIMREChabinyc and Brauman, 1999gas phase; B
Δr12.7 ± 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

C8H9NO2- + Methyl Alcohol = (C8H9NO2- • Methyl Alcohol)

By formula: C8H9NO2- + CH4O = (C8H9NO2- • CH4O)

Quantity Value Units Method Reference Comment
Δr6.3 ± 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

C8H17O4+ + Methyl Alcohol = (C8H17O4+ • Methyl Alcohol)

By formula: C8H17O4+ + CH4O = (C8H17O4+ • CH4O)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr19.5kcal/molPHPMSSharma and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr34.0cal/mol*KPHPMSSharma and Kebarle, 1984gas phase; M

C9H7- + Methyl Alcohol = C10H11O-

By formula: C9H7- + CH4O = C10H11O-

Quantity Value Units Method Reference Comment
Δr21.6 ± 2.0kcal/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH ΔGacid=375.2; B
Quantity Value Units Method Reference Comment
Δr10.20kcal/molIMREMustanir, Matsuoka, et al., 2006gas phase; B
Δr11.1 ± 2.0kcal/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH ΔGacid=375.2; B

C10H4Cl2O2- + Methyl Alcohol = (C10H4Cl2O2- • Methyl Alcohol)

By formula: C10H4Cl2O2- + CH4O = (C10H4Cl2O2- • CH4O)

Quantity Value Units Method Reference Comment
Δr<1.5 ± 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
1.5343.PHPMSChowdhury, 1987gas phase; DG<; M

1,4-Naphthalenedione anion + Methyl Alcohol = (1,4-Naphthalenedione anion • Methyl Alcohol)

By formula: C10H6O2- + CH4O = (C10H6O2- • CH4O)

Quantity Value Units Method Reference Comment
Δr4.6 ± 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
4.6343.PHPMSChowdhury, 1987gas phase; M

C10H21O5+ + Methyl Alcohol = (C10H21O5+ • Methyl Alcohol)

By formula: C10H21O5+ + CH4O = (C10H21O5+ • CH4O)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr20.0kcal/molPHPMSSharma and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr28.0cal/mol*KPHPMSSharma and Kebarle, 1984gas phase; M

C12H25O6+ + Methyl Alcohol = (C12H25O6+ • Methyl Alcohol)

By formula: C12H25O6+ + CH4O = (C12H25O6+ • CH4O)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr20.0kcal/molPHPMSSharma and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr29.5cal/mol*KPHPMSSharma and Kebarle, 1984gas phase; M

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

By formula: Cl- + CH4O = (Cl- • CH4O)

Quantity Value Units Method Reference Comment
Δr17. ± 3.kcal/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Δr22.6cal/mol*KHPMSEvans and Keesee, 1991gas phase; M
Δr24.1cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Δr22.0cal/mol*KPHPMSSieck, 1985gas phase; M
Δr22.9cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Δr14.8cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr10.1 ± 0.8kcal/molAVGN/AAverage of 10 values; Individual data points

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

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

Quantity Value Units Method Reference Comment
Δr14.10 ± 0.40kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr13.70 ± 0.20kcal/molTDAsEvans and Keesee, 1991gas phase; B,M
Δr14.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Δr13.00 ± 0.70kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
Δr24.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Δr22.0cal/mol*KHPMSEvans and Keesee, 1991gas phase; M
Δr19.4cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr7.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr7.10kcal/molTDAsEvans and Keesee, 1991gas phase; B
Δr6.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr7.20 ± 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
Δr11.50 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr10.80 ± 0.30kcal/molTDAsEvans and Keesee, 1991gas phase; B,M
Δr11.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Δr12.30 ± 0.60kcal/molN/AYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Δr22.7cal/mol*KHPMSEvans and Keesee, 1991gas phase; M
Δr23.6cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr5.06kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr4.00kcal/molTDAsEvans and Keesee, 1991gas phase; B
Δr4.9 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr5.20 ± 0.30kcal/molTDAsYamdagni, Payzant, et al., 1973gas 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
Δr10.5 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Δr10.50kcal/molTDAsEvans and Keesee, 1991gas phase; B
Δr11.20 ± 0.60kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Δr26.4cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr3.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr3.70kcal/molTDAsEvans and Keesee, 1991gas phase; B
Δr3.30 ± 0.20kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr9.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Δr10.50 ± 0.50kcal/molN/AYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.7cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Δr25.5cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr2.7 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr2.90 ± 0.10kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

(Chlorine anion • 5Methyl Alcohol) + Methyl Alcohol = (Chlorine anion • 6Methyl Alcohol)

By formula: (Cl- • 5CH4O) + CH4O = (Cl- • 6CH4O)

Quantity Value Units Method Reference Comment
Δr8.9 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr2.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion • 6Methyl Alcohol) + Methyl Alcohol = (Chlorine anion • 7Methyl Alcohol)

By formula: (Cl- • 6CH4O) + CH4O = (Cl- • 7CH4O)

Quantity Value Units Method Reference Comment
Δr8.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr20.1cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr2.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion • 7Methyl Alcohol) + Methyl Alcohol = (Chlorine anion • 8Methyl Alcohol)

By formula: (Cl- • 7CH4O) + CH4O = (Cl- • 8CH4O)

Quantity Value Units Method Reference Comment
Δr7.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.7cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr1.7 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion • 8Methyl Alcohol) + Methyl Alcohol = (Chlorine anion • 9Methyl Alcohol)

By formula: (Cl- • 8CH4O) + CH4O = (Cl- • 9CH4O)

Quantity Value Units Method Reference Comment
Δr7.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr20.6cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr1.4 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion • 9Methyl Alcohol) + Methyl Alcohol = (Chlorine anion • 10Methyl Alcohol)

By formula: (Cl- • 9CH4O) + CH4O = (Cl- • 10CH4O)

Quantity Value Units Method Reference Comment
Δr7.4 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr20.1cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr1.4 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas 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
Δr7.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr1.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

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

By formula: (Cl- • CH4O • H2O) + CH4O = (Cl- • 2CH4O • H2O)

Quantity Value Units Method Reference Comment
Δr10.8kcal/molHPMSEvans and Keesee, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr19.cal/mol*KHPMSEvans and Keesee, 1991gas phase; M

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

By formula: (Cl- • H2O) + CH4O = (Cl- • CH4O • H2O)

Quantity Value Units Method Reference Comment
Δr13.2kcal/molHPMSEvans and Keesee, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr20.9cal/mol*KHPMSEvans and Keesee, 1991gas phase; M

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

By formula: (Cl- • 2H2O) + CH4O = (Cl- • CH4O • 2H2O)

Quantity Value Units Method Reference Comment
Δr11.4kcal/molHPMSEvans and Keesee, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr18.1cal/mol*KHPMSEvans and Keesee, 1991gas phase; M

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

By formula: Co+ + CH4O = (Co+ • CH4O)

Quantity Value Units Method Reference Comment
Δr35.4 ± 1.9kcal/molCIDTRodgers and Armentrout, 2000RCD

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

By formula: Cu+ + CH4O = (Cu+ • CH4O)

Quantity Value Units Method Reference Comment
Δr13.4kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
Δr25.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
Δr5.9kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M

(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
Δr13.8kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
Δr25.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
Δr6.3kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M

Fluorine anion + Methyl Alcohol = CH3D4FO-

By formula: F- + CH4O = CH3D4FO-

Quantity Value Units Method Reference Comment
Δr29.8 ± 2.0kcal/molTDEqWilkinson, Szulejko, et al., 1992gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B
Quantity Value Units Method Reference Comment
Δr22.4 ± 2.0kcal/molTDEqWilkinson, Szulejko, et al., 1992gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

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

By formula: F- + CH4O = (F- • CH4O)

Quantity Value Units Method Reference Comment
Δr29.6 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
Δr29.4 ± 2.2kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Δr23.3 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.0cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Δr22.6cal/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
Δr22.8 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
Δr15.8 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr20.30 ± 0.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr19.3 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.2cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr12.97kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr12.4 ± 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
Δr15.10 ± 0.60kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr14.5 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.2cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr8.06kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr8.2 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr12.5 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.5cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr5.5 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr11.9 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr27.3cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr3.8 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

(Fluorine anion • 5Methyl Alcohol) + Methyl Alcohol = (Fluorine anion • 6Methyl Alcohol)

By formula: (F- • 5CH4O) + CH4O = (F- • 6CH4O)

Quantity Value Units Method Reference Comment
Δr11.5 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr29.8cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr2.6 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

(Fluorine anion • 6Methyl Alcohol) + Methyl Alcohol = (Fluorine anion • 7Methyl Alcohol)

By formula: (F- • 6CH4O) + CH4O = (F- • 7CH4O)

Quantity Value Units Method Reference Comment
Δr9.8 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.5cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr2.2 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

(Fluorine anion • 7Methyl Alcohol) + Methyl Alcohol = (Fluorine anion • 8Methyl Alcohol)

By formula: (F- • 7CH4O) + CH4O = (F- • 8CH4O)

Quantity Value Units Method Reference Comment
Δr9.7 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.8cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr1.7 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

(Fluorine anion • 8Methyl Alcohol) + Methyl Alcohol = (Fluorine anion • 9Methyl Alcohol)

By formula: (F- • 8CH4O) + CH4O = (F- • 9CH4O)

Quantity Value Units Method Reference Comment
Δr9.2 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.7cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr1.5 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

(Fluorine anion • 9Methyl Alcohol) + Methyl Alcohol = (Fluorine anion • 10Methyl Alcohol)

By formula: (F- • 9CH4O) + CH4O = (F- • 10CH4O)

Quantity Value Units Method Reference Comment
Δr8.8 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.1cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr1.3 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr8.6 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.5cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr1.0 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr8.5 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; Entropy estimated.; B,M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AHiraoka and Yamabe, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr1.1 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; Entropy estimated.; B

F6S- + Methyl Alcohol = (F6S- • Methyl Alcohol)

By formula: F6S- + CH4O = (F6S- • CH4O)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.5308.PHPMSKnighton, Zook, et al., 1990gas phase; M

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

By formula: HS- + CH4O = (HS- • CH4O)

Quantity Value Units Method Reference Comment
Δr17.0 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr11.0 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

H4ClO2- + Methyl Alcohol + 2Water = CH8ClO3-

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

Quantity Value Units Method Reference Comment
Δr10.40 ± 0.20kcal/molTDAsEvans and Keesee, 1991gas phase; B
Δr11.40 ± 0.30kcal/molTDAsEvans and Keesee, 1991gas phase; For solvation by MeOH of core ion; B
Quantity Value Units Method Reference Comment
Δr5.80kcal/molTDAsEvans and Keesee, 1991gas phase; B
Δr6.00kcal/molTDAsEvans and Keesee, 1991gas phase; For solvation by MeOH of core ion; B

Iodide + Methyl Alcohol = (Iodide • Methyl Alcohol)

By formula: I- + CH4O = (I- • CH4O)

Quantity Value Units Method Reference Comment
Δr11.90 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr11.3 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Δr11.2kcal/molPHPMSHiraoka and Yamabe, 1991gas phase; M
Δr11.kcal/molPHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr17.1cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Δr17.8cal/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr5.76kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr6.0 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B
Δr5.7 ± 2.0kcal/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B

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

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

Quantity Value Units Method Reference Comment
Δr9.50 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr11.1 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.6cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr4.25kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr4.4 ± 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
Δr7.70 ± 0.60kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr9.8 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.4cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr3.41kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr3.1 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr9.7 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr24.8cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr2.3 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr9.6 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr27.1cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr1.5 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

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

By formula: (I- • 5CH4O) + CH4O = (I- • 6CH4O)

Quantity Value Units Method Reference Comment
Δr9.6 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr27.4cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr1.4 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

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

By formula: (I- • 6CH4O) + CH4O = (I- • 7CH4O)

Quantity Value Units Method Reference Comment
Δr9.4 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B,M
Quantity Value Units Method Reference Comment
Δr28.0cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr1.1 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; B

(Iodide • 7Methyl Alcohol) + Methyl Alcohol = (Iodide • 8Methyl Alcohol)

By formula: (I- • 7CH4O) + CH4O = (I- • 8CH4O)

Quantity Value Units Method Reference Comment
Δr9.1 ± 1.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; Entropy estimated.; B,M
Quantity Value Units Method Reference Comment
Δr28.cal/mol*KN/AHiraoka and Yamabe, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr0.8 ± 2.0kcal/molTDAsHiraoka and Yamabe, 1991gas phase; Entropy estimated.; B

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

By formula: K+ + CH4O = (K+ • CH4O)

Quantity Value Units Method Reference Comment
Δr21.9kcal/molHPMSEvans and Keesee, 1991gas phase; switching reaction,n(K+)H2O; M
Quantity Value Units Method Reference Comment
Δr31.6cal/mol*KHPMSEvans and Keesee, 1991gas phase; switching reaction,n(K+)H2O; M

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

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

Quantity Value Units Method Reference Comment
Δr18.0kcal/molHPMSEvans and Keesee, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr35.cal/mol*KHPMSEvans and Keesee, 1991gas phase; M

(Potassium ion (1+) • 2Methyl Alcohol) + Methyl Alcohol = (Potassium ion (1+) • 3Methyl Alcohol)

By formula: (K+ • 2CH4O) + CH4O = (K+ • 3CH4O)

Quantity Value Units Method Reference Comment
Δr14.5kcal/molHPMSEvans and Keesee, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr28.cal/mol*KHPMSEvans and Keesee, 1991gas phase; M

(Potassium ion (1+) • 3Methyl Alcohol) + Methyl Alcohol = (Potassium ion (1+) • 4Methyl Alcohol)

By formula: (K+ • 3CH4O) + CH4O = (K+ • 4CH4O)

Quantity Value Units Method Reference Comment
Δr12.5kcal/molHPMSEvans and Keesee, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr29.cal/mol*KHPMSEvans and Keesee, 1991gas phase; M

(Potassium ion (1+) • Methyl Alcohol • Water) + Methyl Alcohol = (Potassium ion (1+) • 2Methyl Alcohol • Water)

By formula: (K+ • CH4O • H2O) + CH4O = (K+ • 2CH4O • H2O)

Quantity Value Units Method Reference Comment
Δr13.5kcal/molHPMSEvans and Keesee, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr27.3cal/mol*KHPMSEvans and Keesee, 1991gas phase; M

(Potassium ion (1+) • 2Methyl Alcohol • Water) + Methyl Alcohol = (Potassium ion (1+) • 3Methyl Alcohol • Water)

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

Quantity Value Units Method Reference Comment
Δr12.5kcal/molHPMSEvans and Keesee, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr25.6cal/mol*KHPMSEvans and Keesee, 1991gas phase; M

(Potassium ion (1+) • Water) + Methyl Alcohol = (Potassium ion (1+) • Methyl Alcohol • Water)

By formula: (K+ • H2O) + CH4O = (K+ • CH4O • H2O)

Quantity Value Units Method Reference Comment
Δr19.6kcal/molHPMSEvans and Keesee, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr32.5cal/mol*KHPMSEvans and Keesee, 1991gas phase; M

(Potassium ion (1+) • 2Water) + Methyl Alcohol = (Potassium ion (1+) • Methyl Alcohol • 2Water)

By formula: (K+ • 2H2O) + CH4O = (K+ • CH4O • 2H2O)

Quantity Value Units Method Reference Comment
Δr16.6kcal/molHPMSEvans and Keesee, 1991gas phase; switching reaction,n(K+)3H2O; M
Quantity Value Units Method Reference Comment
Δr30.9cal/mol*KHPMSEvans and Keesee, 1991gas phase; switching reaction,n(K+)3H2O; M

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

By formula: Li+ + CH4O = (Li+ • CH4O)

Quantity Value Units Method Reference Comment
Δr36.8 ± 1.9kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr38.1kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H20, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M
Δr38.kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
Δr26.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
Δr30.3kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H20, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M

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

By formula: Mg+ + CH4O = (Mg+ • CH4O)

Quantity Value Units Method Reference Comment
Δr34.7 ± 1.6kcal/molCIDTAndersen, Muntean, et al., 2000RCD
Δr61. ± 5.kcal/molPDissOperti, Tews, et al., 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr28.8 ± 1.6kcal/molCIDTAndersen, Muntean, et al., 2000RCD

(Magnesium ion (1+) • 2Methyl Alcohol) + Methyl Alcohol = (Magnesium ion (1+) • 3Methyl Alcohol)

By formula: (Mg+ • 2CH4O) + CH4O = (Mg+ • 3CH4O)

Quantity Value Units Method Reference Comment
Δr21.9 ± 2.1kcal/molCIDTAndersen, Muntean, et al., 2000RCD

Nitrogen oxide anion + Methyl Alcohol = (Nitrogen oxide anion • Methyl Alcohol)

By formula: NO2- + CH4O = (NO2- • CH4O)

Quantity Value Units Method Reference Comment
Δr17.40 ± 0.20kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.8cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr9.70 ± 0.40kcal/molTDAsSieck, 1985gas phase; B

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

By formula: Na+ + CH4O = (Na+ • CH4O)

Quantity Value Units Method Reference Comment
Δr23.2 ± 1.3kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr21.9 ± 1.4kcal/molCIDTArmentrout and Rodgers, 2000RCD
Δr24.0 ± 0.2kcal/molHPMSHoyau, Norrman, et al., 1999RCD
Δr26.6 ± 0.2kcal/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr20500.cal/mol*KHPMSHoyau, Norrman, et al., 1999RCD
Δr24.3cal/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

(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
Δr20.5 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr21.4 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr20.5 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr20.2 ± 0.2kcal/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr21.7cal/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

(Sodium ion (1+) • 2Methyl Alcohol) + Methyl Alcohol = (Sodium ion (1+) • 3Methyl Alcohol)

By formula: (Na+ • 2CH4O) + CH4O = (Na+ • 3CH4O)

Quantity Value Units Method Reference Comment
Δr17.4 ± 0.4kcal/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr25.1cal/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

(Sodium ion (1+) • 3Methyl Alcohol) + Methyl Alcohol = (Sodium ion (1+) • 4Methyl Alcohol)

By formula: (Na+ • 3CH4O) + CH4O = (Na+ • 4CH4O)

Quantity Value Units Method Reference Comment
Δr15.7 ± 0.2kcal/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr30.0cal/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

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

By formula: O2- + CH4O = (O2- • CH4O)

Quantity Value Units Method Reference Comment
Δr19.10kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.9cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr12.50kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

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

By formula: (O2- • CH4O) + CH4O = (O2- • 2CH4O)

Quantity Value Units Method Reference Comment
Δr15.50 ± 0.80kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
Δr24.8cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr8.10 ± 0.40kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

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

By formula: (O2- • 2CH4O) + CH4O = (O2- • 3CH4O)

Quantity Value Units Method Reference Comment
Δr13.50 ± 0.70kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
Δr27.9cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr5.20 ± 0.30kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

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

By formula: Pb+ + CH4O = (Pb+ • CH4O)

Quantity Value Units Method Reference Comment
Δr23.3 ± 0.2kcal/molHPMSGuo and Castleman, 1990gas phase; M
Quantity Value Units Method Reference Comment
Δr23.3cal/mol*KHPMSGuo and Castleman, 1990gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr17.2 ± 0.3kcal/molHPMSGuo and Castleman, 1990gas phase; M
Quantity Value Units Method Reference Comment
Δr26.6cal/mol*KHPMSGuo and Castleman, 1990gas phase; M

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, 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

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Site Links, NIST Free Links, 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 OV10)
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 OV8)
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 OV4)
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. OV10)
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. OV4)
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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Site Links, NIST Free Links, 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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, Notes

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

Rossini, 1932
Rossini, F.D., The heats of combustion of methyl and ethyl alcohols, J. Res. NBS, 1932, 8, 119-139. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Ivash E.V., 1955
Ivash E.V., Thermodynamic properties of ideal gaseous methanol, J. Chem. Phys., 1955, 23, 1814-1818. [all data]

Zhuravlev E.Z., 1959
Zhuravlev E.Z., Isotopic effect on thermodynamic functions of some organic deuterocompounds in the ideal gas state, Tr. Khim. i Khim. Tekhnol., 1959, 2, 475-485. [all data]

Chen S.S., 1977
Chen S.S., Thermodynamic properties of normal and deuterated methanols, J. Phys. Chem. Ref. Data, 1977, 6, 105-112. [all data]

Chao J., 1986
Chao J., Ideal gas thermodynamic properties of simple alkanols, Int. J. Thermophys., 1986, 7, 431-442. [all data]

Gurvich, Veyts, et al., 1989
Gurvich, L.V.; Veyts, I.V.; Alcock, C.B., Thermodynamic Properties of Individual Substances, 4th ed.; Vols. 1 and 2, Hemisphere, New York, 1989. [all data]

Chao J., 1986, 2
Chao J., Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties, J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]

Stromsoe E., 1970
Stromsoe E., Heat capacity of alcohol vapors at atmospheric pressure, J. Chem. Eng. Data, 1970, 15, 286-290. [all data]

Halford J.O., 1957
Halford J.O., Standard heat capacities of gaseous methanol, ethanol, methane and ethane at 279 K by thermal conductivity, J. Phys. Chem., 1957, 61, 1536-1539. [all data]

De Vries T., 1941
De Vries T., The heat capacity of organic vapors. I. Methyl alcohol, J. Am. Chem. Soc., 1941, 63, 1343-1346. [all data]

Weltner W., 1951