Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Methanethiol

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, 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), UV/Visible spectrum, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-22.8 ± 0.59kJ/molCcrGood, Lacina, et al., 1961 

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, Mass spectrum (electron ionization), UV/Visible spectrum, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-46.65 ± 0.54kJ/molCcrGood, Lacina, et al., 1961ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1520.8 ± 0.50kJ/molCcrGood, Lacina, et al., 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -1519. ± 0.50 kJ/mol; ALS
Quantity Value Units Method Reference Comment
liquid163.22J/mol*KN/ARussell, Osborne, et al., 1942DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
89.04280.Russell, Osborne, et al., 1942T = 15 to 280 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, Mass spectrum (electron ionization), UV/Visible spectrum, 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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
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
Tboil279.1 ± 0.5KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus150.18KN/AMorris, Lanum, et al., 1960Uncertainty assigned by TRC = 0.02 K; TRC
Tfus150.1KN/ATeets, 1934Uncertainty assigned by TRC = 0.5 K; TRC
Tfus150.1KN/AEllis and Reid, 1932Uncertainty assigned by TRC = 0.4 K; TRC
Tfus152.15KN/ATimmermans and Mattaar, 1921Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Ttriple150.14KN/ARussell, Osborne, et al., 1942, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple150.16KN/ARussell, Osborne, et al., 1942, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.03 K; TRC
Quantity Value Units Method Reference Comment
Tc469.9KN/ABerthoud and Brum, 1924Uncertainty assigned by TRC = 0.4 K; by disappearance of meniscus turbidity; TRC
Tc469.9KN/ABerthoud and Brum, 1924Uncertainty assigned by TRC = 0.4 K; by appearance of turbidity; TRC
Quantity Value Units Method Reference Comment
Pc72.30barN/ABerthoud and Brum, 1924Uncertainty assigned by TRC = 0.5066 bar; vapor pressure at Tc; TRC
Quantity Value Units Method Reference Comment
rhoc6.891mol/lN/ABerthoud and Brum, 1924Uncertainty assigned by TRC = 0.04 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap23.8kJ/molN/AReid, 1972AC
Deltavap23.8 ± 0.08kJ/molVGood, Lacina, et al., 1961ALS
Deltavap23.9kJ/molN/AGood, Lacina, et al., 1961DRB

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
24.568279.12N/ARussell, Osborne, et al., 1942P = 101.325 kPa; DH
27.2223.N/ADykyj, Svoboda, et al., 1999Based on data from 208. - 298. K.; AC
25.2359.AStephenson and Malanowski, 1987Based on data from 267. - 359. K.; AC
25.7268.AStephenson and Malanowski, 1987Based on data from 221. - 283. K.; AC
23.7360.AStephenson and Malanowski, 1987Based on data from 345. - 424. K.; AC
24.2429.AStephenson and Malanowski, 1987Based on data from 414. - 470. K.; AC
25.8264.N/AStephenson and Malanowski, 1987Based on data from 222. - 279. K. See also Russell, Osborne, et al., 1942.; AC

Entropy of vaporization

DeltavapS (J/mol*K) Temperature (K) Reference Comment
88.02279.12Russell, Osborne, et al., 1942P; DH

Antoine Equation Parameters

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
279.9 - 458.4.353811122.494-21.748Stull, 1947Coefficents calculated by NIST from author's data.
221.87 - 279.134.192011031.431-32.72Russell, Osborne, et al., 1942Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
5.9150.2Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
1.59137.6Domalski and Hearing, 1996CAL
39.33150.2

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.2197137.6crystaline, IIcrystaline, IRussell, Osborne, et al., 1942DH
5.904150.16crystaline, IliquidRussell, Osborne, et al., 1942DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
1.60137.6crystaline, IIcrystaline, IRussell, Osborne, et al., 1942DH
39.32150.16crystaline, IliquidRussell, Osborne, et al., 1942DH

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, Mass spectrum (electron ionization), UV/Visible spectrum, 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
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.

Individual Reactions

Fluorine anion + Methanethiol = (Fluorine anion bullet Methanethiol)

By formula: F- + CH4S = (F- bullet CH4S)

Quantity Value Units Method Reference Comment
Deltar143. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M
Quantity Value Units Method Reference Comment
Deltar97.1J/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
Deltar114. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M

MeS anion + Hydrogen cation = Methanethiol

By formula: CH3S- + H+ = CH4S

Quantity Value Units Method Reference Comment
Deltar1496. ± 8.4kJ/molD-EASchwartz, Davico, et al., 2000gas phase; B
Deltar1496. ± 8.4kJ/molD-EAMoran and Ellison, 1988gas phase; B
Deltar1493. ± 9.2kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1467. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

CH3S- + Hydrogen cation = Methanethiol

By formula: CH3S- + H+ = CH4S

Quantity Value Units Method Reference Comment
Deltar1654. ± 11.kJ/molG+TSKass, Guo, et al., 1990gas phase; Acidity between D2O and Me2NH.; B
Deltar1638. ± 32.kJ/molD-EAKass, Guo, et al., 1990gas phase; Between O2 and SO2. Explains bad anchor in McIver Jr. and Fukuda, 1982; B
Quantity Value Units Method Reference Comment
Deltar1624. ± 10.kJ/molIMRBKass, Guo, et al., 1990gas phase; Acidity between D2O and Me2NH.; B

(CH6N+ bullet 2Acetonitrile) + Methanethiol = (CH6N+ bullet Methanethiol bullet 2Acetonitrile)

By formula: (CH6N+ bullet 2C2H3N) + CH4S = (CH6N+ bullet CH4S bullet 2C2H3N)

Quantity Value Units Method Reference Comment
Deltar33.kJ/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KN/AMeot-Ner (Mautner) and Sieck, 1985gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
10.270.PHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; Entropy change calculated or estimated; M

Chlorine anion + Methanethiol = (Chlorine anion bullet Methanethiol)

By formula: Cl- + CH4S = (Cl- bullet CH4S)

Quantity Value Units Method Reference Comment
Deltar65. ± 13.kJ/molIMRBStaneke, Groothuis, et al., 1995gas phase; Chloride affinity comparable to that of CHCl3; B
Quantity Value Units Method Reference Comment
Deltar45. ± 13.kJ/molIMRBStaneke, Groothuis, et al., 1995gas phase; Chloride affinity comparable to that of CHCl3; B

MeCO2 anion + Methanethiol = (MeCO2 anion bullet Methanethiol)

By formula: C2H3O2- + CH4S = (C2H3O2- bullet CH4S)

Quantity Value Units Method Reference Comment
Deltar62.3 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar95.4J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar34. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B

(CH6N+ bullet Acetonitrile) + Methanethiol = (CH6N+ bullet Methanethiol bullet Acetonitrile)

By formula: (CH6N+ bullet C2H3N) + CH4S = (CH6N+ bullet CH4S bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar41.kJ/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar83.7J/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M

CH6N+ + Methanethiol = (CH6N+ bullet Methanethiol)

By formula: CH6N+ + CH4S = (CH6N+ bullet CH4S)

Quantity Value Units Method Reference Comment
Deltar56.1kJ/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar92.5J/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M

Hydrogen iodide + Methylsulfenyliodide = Methanethiol + Iodine

By formula: HI + CH3IS = CH4S + I2

Quantity Value Units Method Reference Comment
Deltar-12.0 ± 2.3kJ/molEqkShum and Benson, 1983gas phase; ALS

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, Mass spectrum (electron ionization), UV/Visible spectrum, 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
0.202800.MN/A 
0.71 EN/ACalculated molecular structure relationship.
0.393100.MN/A 
0.261600.XN/A 
0.33 MN/A 

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, Mass spectrum (electron ionization), UV/Visible spectrum, 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 CH4S+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.439 ± 0.005eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)773.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity742.kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Deltaf(+) ion889. ± 8.kJ/molN/AN/A 
Quantity Value Units Method Reference Comment
DeltafH(+) ion,0K898. ± 8.kJ/molN/AN/A 

Ionization energy determinations

IE (eV) Method Reference Comment
9.446 ± 0.010PINourbakhsh, Norwood, et al., 1991LL
9.4386PIKutina, Edwards, et al., 1982T = 0K; LBLHLM
9.46PEKimura, Katsumata, et al., 1981LLK
9.44PEOgata, Onizuka, et al., 1973LLK
9.44PEOgata, Onizuka, et al., 1972LLK
9.415PEKroto and Suffolk, 1972LLK
9.42PEFrost, Herring, et al., 1972LLK
9.44 ± 0.01PIAkopyan, Sergeev, et al., 1970RDSH
9.440 ± 0.005PIWatanabe, Nakayama, et al., 1962RDSH
9.443 ± 0.002SPrice, Teegan, et al., 1950RDSH
9.44PECradock and Whiteford, 1972Vertical value; LLK
9.44PEBock, Wagner, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHS+<=13.55 ± 0.04H+H2PIKutina, Edwards, et al., 1982LBLHLM
CHS+<=13.61 ± 0.04H+H2PIKutina, Edwards, et al., 1982T = 0K; LBLHLM
CHS+15.8 ± 0.5?EIRuska and Franklin, 1969RDSH
CH2S+10.58 ± 0.05H2PINourbakhsh, Norwood, et al., 1991LL
CH2S+10.61 ± 0.05H2PIKutina, Edwards, et al., 1982T = 0K; LBLHLM
CH2S+10.55 ± 0.05H2PIKutina, Edwards, et al., 1982LBLHLM
CH2S+10.8 ± 0.1H2PIAkopyan, Sergeev, et al., 1970RDSH
CH2S+[HCSH+]~11.51H2PIKutina, Edwards, et al., 1982LBLHLM
CH2S+[HCSH+]~11.57H2PIKutina, Edwards, et al., 1982T = 0K; LBLHLM
CH3+13.296 ± 0.021SHPIKutina, Edwards, et al., 1982LBLHLM
CH3+13.357 ± 0.021SHPIKutina, Edwards, et al., 1982T = 0K; LBLHLM
CH3S+11.23 ± 0.05HPINourbakhsh, Norwood, et al., 1991LL
CH3S+11.48 ± 0.05HEIHolmes, Lossing, et al., 1983LBLHLM
CH3S+11.550 ± 0.005HPIKutina, Edwards, et al., 1982LBLHLM
CH3S+11.611 ± 0.005HPIKutina, Edwards, et al., 1982T = 0K; LBLHLM
CH3S+11.37 ± 0.05HPIAkopyan, Sergeev, et al., 1970RDSH
CH3S+11.6 ± 0.1HEITaft, Martin, et al., 1965RDSH

De-protonation reactions

MeS anion + Hydrogen cation = Methanethiol

By formula: CH3S- + H+ = CH4S

Quantity Value Units Method Reference Comment
Deltar1496. ± 8.4kJ/molD-EASchwartz, Davico, et al., 2000gas phase; B
Deltar1496. ± 8.4kJ/molD-EAMoran and Ellison, 1988gas phase; B
Deltar1493. ± 9.2kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1467. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

CH3S- + Hydrogen cation = Methanethiol

By formula: CH3S- + H+ = CH4S

Quantity Value Units Method Reference Comment
Deltar1654. ± 11.kJ/molG+TSKass, Guo, et al., 1990gas phase; Acidity between D2O and Me2NH.; B
Deltar1638. ± 32.kJ/molD-EAKass, Guo, et al., 1990gas phase; Between O2 and SO2. Explains bad anchor in McIver Jr. and Fukuda, 1982; B
Quantity Value Units Method Reference Comment
Deltar1624. ± 10.kJ/molIMRBKass, Guo, et al., 1990gas phase; Acidity between D2O and Me2NH.; 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, Mass spectrum (electron ionization), UV/Visible spectrum, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess

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

CH6N+ + Methanethiol = (CH6N+ bullet Methanethiol)

By formula: CH6N+ + CH4S = (CH6N+ bullet CH4S)

Quantity Value Units Method Reference Comment
Deltar56.1kJ/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar92.5J/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M

(CH6N+ bullet Acetonitrile) + Methanethiol = (CH6N+ bullet Methanethiol bullet Acetonitrile)

By formula: (CH6N+ bullet C2H3N) + CH4S = (CH6N+ bullet CH4S bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar41.kJ/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar83.7J/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M

(CH6N+ bullet 2Acetonitrile) + Methanethiol = (CH6N+ bullet Methanethiol bullet 2Acetonitrile)

By formula: (CH6N+ bullet 2C2H3N) + CH4S = (CH6N+ bullet CH4S bullet 2C2H3N)

Quantity Value Units Method Reference Comment
Deltar33.kJ/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar84.J/mol*KN/AMeot-Ner (Mautner) and Sieck, 1985gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
10.270.PHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; Entropy change calculated or estimated; M

MeCO2 anion + Methanethiol = (MeCO2 anion bullet Methanethiol)

By formula: C2H3O2- + CH4S = (C2H3O2- bullet CH4S)

Quantity Value Units Method Reference Comment
Deltar62.3 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar95.4J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar34. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B

Chlorine anion + Methanethiol = (Chlorine anion bullet Methanethiol)

By formula: Cl- + CH4S = (Cl- bullet CH4S)

Quantity Value Units Method Reference Comment
Deltar65. ± 13.kJ/molIMRBStaneke, Groothuis, et al., 1995gas phase; Chloride affinity comparable to that of CHCl3; B
Quantity Value Units Method Reference Comment
Deltar45. ± 13.kJ/molIMRBStaneke, Groothuis, et al., 1995gas phase; Chloride affinity comparable to that of CHCl3; B

Fluorine anion + Methanethiol = (Fluorine anion bullet Methanethiol)

By formula: F- + CH4S = (F- bullet CH4S)

Quantity Value Units Method Reference Comment
Deltar143. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M
Quantity Value Units Method Reference Comment
Deltar97.1J/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
Deltar114. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M

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, UV/Visible spectrum, 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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.
NIST MS number 86

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible 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), 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

UVVis spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Source Bol'shakov, et al., 1969
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 20091
Instrument unknown
Boiling point 5.9

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, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

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

Good, Lacina, et al., 1961
Good, W.D.; Lacina, J.L.; McCullough, J.P., Methanethiol and carbon disulfide: Heats of combustion and formation by rotating-bomb calorimetry, J. Phys. Chem., 1961, 65, 2229-2231. [all data]

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

Russell, Osborne, et al., 1942
Russell, H., Jr.; Osborne, D.W.; Yost, D.M., The heat capacity, entropy, heats of fusion, transition, and vaporization and vapor pressures of methyl mercaptan, J. Am. Chem. Soc., 1942, 64, 165-169. [all data]

Morris, Lanum, et al., 1960
Morris, J.C.; Lanum, W.J.; Helm, R.V.; Haines, W.E.; Cook, G.L.; Ball, J.S., Purification and Properties of Ten Organic Sulfur Compounds, J. Chem. Eng. Data, 1960, 5, 112-6. [all data]

Teets, 1934
Teets, D.E., The Relation of the Melting Point to the Number of Carbon Atoms in a Series of Normal Mercaptans, J. Am. Chem. Soc., 1934, 56, 1143. [all data]

Ellis and Reid, 1932
Ellis, L.M.; Reid, E.E., The Preparation and Properties of A Double Series of Aliphatic Mercaptans, J. Am. Chem. Soc., 1932, 54, 1674. [all data]

Timmermans and Mattaar, 1921
Timmermans, J.; Mattaar, J.F., Freezing points of orgainic substances VI. New experimental determinations., Bull. Soc. Chim. Belg., 1921, 30, 213. [all data]

Russell, Osborne, et al., 1942, 2
Russell, H.; Osborne, D.W.; Yost, D.M., The Heat Capacity, Entropy, Heats of Fusion, Transition and Vaporization and Vapor Pressures of Methyl Mercaptan, J. Am. Chem. Soc., 1942, 64, 165-9. [all data]

Berthoud and Brum, 1924
Berthoud, A.; Brum, R., Physical Properties of Some Organic Compounds., J. Chim. Phys. Phys.-Chim. Biol., 1924, 21, 143-60. [all data]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [all data]

Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R., Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study, J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034 . [all data]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Schwartz, Davico, et al., 2000
Schwartz, R.L.; Davico, G.E.; Lineberger, W.C., Negative-ion photoelectron spectroscopy of CH3S-, J. Electron Spectros. Rel. Phenom., 2000, 108, 1-3, 163-168, https://doi.org/10.1016/S0368-2048(00)00125-0 . [all data]

Moran and Ellison, 1988
Moran, S.; Ellison, G.B., Photoelectron Spectroscopy of Sulfur Ions, J. Phys. Chem., 1988, 92, 7, 1794, https://doi.org/10.1021/j100318a021 . [all data]

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

Kass, Guo, et al., 1990
Kass, S.R.; Guo, H.-Z.; Dahlke, G.D., The Thiomethyl Anion: Formation, Reactivity, and Thermodynamic Properties, J. Am. Soc. Mass Spectrom., 1990, 1, 5, 366, https://doi.org/10.1016/1044-0305(90)85016-F . [all data]

McIver Jr. and Fukuda, 1982
McIver Jr.; Fukuda, E.K., Equilibrium Electron Affinities, Lec. Notes in Chem., 1982, 31, 165. [all data]

Meot-Ner (Mautner) and Sieck, 1985
Meot-Ner (Mautner), M.; Sieck, L.W., The Ionic Hydrogen Bond and Ion Solvation. 4. SH+ O and NH+ S Bonds. Correlations with Proton Affinity. Mutual Effects of Weak and Strong Ligands in Mixed Clusters, J. Phys. Chem., 1985, 89, 24, 5222, https://doi.org/10.1021/j100270a021 . [all data]

Staneke, Groothuis, et al., 1995
Staneke, P.O.; Groothuis, G.; Ingemann, S.; Nibbering, N.M.M., Formation, stability and structure of radical anions of chloroform, tetrachloromethane and fluorotrichloromethane in the gas phase, Int. J. Mass Spectrom. Ion Proc., 1995, 142, 1-2, 83, https://doi.org/10.1016/0168-1176(94)04127-S . [all data]

Meot-ner, 1988
Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 6. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH3COO- with Cl-, CN-, and SH-, J. Am. Chem. Soc., 1988, 110, 12, 3854, https://doi.org/10.1021/ja00220a022 . [all data]

Shum and Benson, 1983
Shum, L.G.S.; Benson, S.W., Thermochemnistry and kinetics of the reaction of methyl mercaptan with iodine, Int. J. Chem. Kinet., 1983, 15, 433-453. [all data]

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

Nourbakhsh, Norwood, et al., 1991
Nourbakhsh, S.; Norwood, K.; Yin, H.-M.; Liao, C.-L.; Ng, C.Y., Vacuum ultraviolet photodissociation and photoionization studies of CH3SH and SH, J. Chem. Phys., 1991, 95, 946. [all data]

Kutina, Edwards, et al., 1982
Kutina, R.; Edwards, A.; Goodman, G.; Berkowitz, J., Photoionization mass spectrometry of CH3SH, CD3SH, and CH3SD: Heats of formation of CH3S+ (CH2SH+), CH2S+, CH2S, and HCS+, J. Chem. Phys., 1982, 77, 5508. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

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

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

Kroto and Suffolk, 1972
Kroto, H.W.; Suffolk, R.J., The photoelectron spectrum of an unstable species in the pyrolysis products of dimethyldisulphide, Chem. Phys. Lett., 1972, 15, 545. [all data]

Frost, Herring, et al., 1972
Frost, D.C.; Herring, F.G.; Katrib, A.; McDowell, C.A.; McLean, R.A.N., Photoelectron spectra of CH3SH, (CH3)2S, C6H5SH, and C6H5CH2SH; the bonding between sulfur and carbon, J. Phys. Chem., 1972, 76, 1030. [all data]

Akopyan, Sergeev, et al., 1970
Akopyan, M.E.; Sergeev, Yu.L.; Vilesov, F.I., Photionization in vapors of aliphatic sulfides. I. Methymercaptan, dimethyl and diethyl sulfides, High Energy Chem., 1970, 4, 265, In original 305. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Price, Teegan, et al., 1950
Price, W.C.; Teegan, J.P.; Walsh, A.D., The far ultra-violet absorption spectra of the hydrides and deuterides of sulphur, selenium and tellurium and of the methyl derivatives of hydrogen sulphide, Proc. Roy. Soc. (London), 1950, A201, 600. [all data]

Cradock and Whiteford, 1972
Cradock, S.; Whiteford, R.A., Photoelectron spectra of the methyl, silyl and germyl derivatives of the group VI elements, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 281. [all data]

Bock, Wagner, et al., 1972
Bock, H.; Wagner, G.; Kroner, J., Photoelektronenspektren und molekuleigenschaften, XIV. Die delokalisation des schwefel-elektronenpaar in CH3S-substituierten aromaten, Chem. Ber., 1972, 105, 3850. [all data]

Ruska and Franklin, 1969
Ruska, W.E.W.; Franklin, J.L., Ion-molecule reactions in hydrogen sulfide, methanethiol and 2-thiapropane, Intern. J. Mass Spectrom. Ion Phys., 1969, 3, 221. [all data]

Holmes, Lossing, et al., 1983
Holmes, J.L.; Lossing, F.P.; Terlouw, J.K.; Burgers, P.C., Novel gas-phase ions. The radical cations [CH2XH]+. (X = F, Cl, Br, I, OH, NH2, SH) and [CH2CH2NH3]+., Can. J. Chem., 1983, 61, 2305. [all data]

Taft, Martin, et al., 1965
Taft, R.W.; Martin, R.H.; Lampe, F.W., Stabilization energies of substituted methyl cations. The effect of strong demand on the resonance order, J. Am. Chem. Soc., 1965, 87, 2490. [all data]

Bol'shakov, et al., 1969
Bol'shakov, G.F., et al., Ultraviolet spectra of heteroorganic compounds, 1969, 83. [all data]


Notes

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), UV/Visible spectrum, References