Ethane, (methylthio)-
- Formula: C3H8S
- Molecular weight: 76.161
- IUPAC Standard InChIKey: WXEHBUMAEPOYKP-UHFFFAOYSA-N
- CAS Registry Number: 624-89-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Sulfide, ethyl methyl; (Methylthio)ethane; Ethyl methyl sulfide; Methyl ethyl sulfide; 2-Thiabutane; Ethyl methyl sulphide; C2H5SCH3; 1-(Methylsulfanyl)ethane; Methyl ethyl sulphide
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -14.42 ± 0.27 | kcal/mol | Ccr | Hubbard and Waddington, 1954 | Heat of combustion calculated author's U=-675.17 |
Reaction 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 by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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
By formula: C3H9S+ + C3H8S = (C3H9S+ • C3H8S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; ΔrH?, incosistent with other sulfur compound dimers |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; ΔrH?, incosistent with other sulfur compound dimers |
Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
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 C3H8S+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 8.55 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 202.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 194.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.46 | CTS | Aloisi, Santini, et al., 1974 | LLK |
8.5 ± 0.1 | EI | Keyes and Harrson, 1968 | RDSH |
8.55 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
10.96 | EI | Vorob'ev, Furlei, et al., 1989 | Vertical value; LL |
8.54 | PE | Aue and Bowers, 1979 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CHS+ | 15.9 ± 0.4 | ? | EI | Hobrock and Kiser, 1962 | RDSH |
CH2S+ | 13.6 ± 0.3 | ? | EI | Hobrock and Kiser, 1962 | RDSH |
CH3+ | 17.6 ± 0.5 | ? | EI | Hobrock and Kiser, 1962 | RDSH |
CH3S+ | 14.7 ± 0.2 | ? | EI | Hobrock and Kiser, 1962 | RDSH |
CH4S+ | 10.4 ± 0.1 | ? | EI | Keyes and Harrson, 1968 | RDSH |
CH5S+ | 10.7 ± 0.3 | ? | EI | Keyes and Harrson, 1968 | RDSH |
C2H2+ | 17.8 ± 0.5 | ? | EI | Hobrock and Kiser, 1962 | RDSH |
C2H3+ | 16.0 ± 0.4 | ? | EI | Hobrock and Kiser, 1962 | RDSH |
C2H3S+ | 13.4 ± 0.4 | ? | EI | Hobrock and Kiser, 1962 | RDSH |
C2H5+ | 14.1 ± 0.2 | ? | EI | Hobrock and Kiser, 1962 | RDSH |
C2H5S+ | 10.74 | CH3 | EI | Keyes and Harrson, 1968 | RDSH |
Ion clustering 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 by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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
By formula: C3H9S+ + C3H8S = (C3H9S+ • C3H8S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; ΔrH?, incosistent with other sulfur compound dimers |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; ΔrH?, incosistent with other sulfur compound dimers |
IR Spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | WYANDOTTE CHEMICALS CORP., WYANDOTTE, MICHIGAN, USA |
Source reference | COBLENTZ NO. 3838 |
Date | Not specified, most likely prior to 1970 |
Name(s) | 1-(methylsulfanyl)ethane |
State | LIQUID |
Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
Path length | 0.005 CM |
Resolution | 4 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY NIST FROM HARD COPY |
Boiling point | 65-67 C |
Mass spectrum (electron ionization)
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
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-2718 |
NIST MS number | 230497 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Source | Tycholiz and Knight, 1972 |
---|---|
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. 16199 |
Instrument | Zeiss PMQ II |
Boiling point | 66.7 |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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.
Hubbard and Waddington, 1954
Hubbard, W.N.; Waddington, G.,
The heat of combustion, formation and isomerization of propanethiol-1, propane-thiol-2 and 2-thiabutane,
Rec. Trav. Chim. Pays/Bas, 1954, 73, 910. [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]
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]
Aloisi, Santini, et al., 1974
Aloisi, G.G.; Santini, S.; Sorriso, S.,
Molecular complexes of substituted diphenyl sulphides with π acceptors. Charge transfer spectra and ionization potentials of the donors,
J. Chem. Soc. Faraday Trans. 1, 1974, 70, 1908. [all data]
Keyes and Harrson, 1968
Keyes, B.G.; Harrson, A.G.,
The fragmentation of aliphatic sulfur compounds by electron impact,
J. Am. Chem. Soc., 1968, 90, 5671. [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]
Vorob'ev, Furlei, et al., 1989
Vorob'ev, A.S.; Furlei, I.I.; Sultanov, A.S.; Khvostenko, V.I.; Leplyanin, G.V.; Derzhinskii, A.R.; Tolstikov, G.A.,
Mass spectrometry of reasonance capture of electrons and photoelectron spectroscopy of molecules of ethylene oxide, ethylene sulfide, and their derivatives,
Bull. Acad. Sci. USSR, Div. Chem. Sci., 1989, 1388. [all data]
Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T.,
Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements
in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]
Hobrock and Kiser, 1962
Hobrock, B.G.; Kiser, R.W.,
Electron impact spectroscopy of sulfur compounds. I. 2-Thiabutane, 2-thiapentane, and 2,3-dithiabutane,
J. Phys. Chem., 1962, 66, 1648. [all data]
Tycholiz and Knight, 1972
Tycholiz, D.R.; Knight, A.R.,
Can. J. Chem., 1972, 50, 1734. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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