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
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -60.3 ± 1.1 | kJ/mol | Ccr | Hubbard and Waddington, 1954 | Heat of combustion calculated author's U=-675.17 |
Condensed 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°liquid | -92.3 ± 1.1 | kJ/mol | Ccr | Hubbard and Waddington, 1954 | Heat of combustion calculated author's U=-675.17 |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -2833.6 ± 1.1 | kJ/mol | Ccr | Hubbard and Waddington, 1954 | Heat of combustion calculated author's U=-675.17 |
Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 339.8 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 339.8 | K | N/A | Majer and Svoboda, 1985 | |
Tboil | 340. | K | N/A | Pochinok and Limarenko, 1955 | Uncertainty assigned by TRC = 5. K; TRC |
Tboil | 339.8 | K | N/A | Mcallan, Cullum, et al., 1951 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 335.2 | K | N/A | Trotter and Thompson, 1946 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 167.24 | K | N/A | Mcallan, Cullum, et al., 1951 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 167.23 | K | N/A | Scott, Finke, et al., 1951 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 553. | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 31.99 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 31.5 | kJ/mol | N/A | Shimizu, Saito, et al., 1981 | AC |
ΔvapH° | 31.8 | kJ/mol | N/A | Reid, 1972 | See also Osborn and Douslin, 1966 and Hubbard and Waddington, 2010.; AC |
ΔvapH° | 32.0 | kJ/mol | N/A | Hubbard and Waddington, 1954 | DRB |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
29.53 | 339.8 | N/A | Majer and Svoboda, 1985 | |
33.7 | 268. | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 253. to 363. K.; AC |
31.8 | 311. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 296. to 373. K. See also Scott, Finke, et al., 1951, 2.; AC |
32.3 | 287. | N/A | Mackle, Mayrick, et al., 1960 | AC |
32.0 ± 0.08 | 301. | V | Hubbard and Waddington, 1954 | Heat of combustion calculated author's U=-675.17; ALS |
31.64 | 301.66 | V | Scott, Finke, et al., 1951, 2 | ALS |
30.3 | 338. | N/A | Thompson and Linnett, 1935 | AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kJ/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
302. to 340. | 47.11 | 0.298 | 553. | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference |
---|---|---|---|---|
296.58 to 373.97 | 4.06339 | 1182.562 | -48.366 | Osborn and Douslin, 1966 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.76 | 167.2 | Domalski and Hearing, 1996 | AC |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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: 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° | 111. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; ΔrH?, incosistent with other sulfur compound dimers |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 116. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; ΔrH?, incosistent with other sulfur compound dimers |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 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) | 846.5 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 815.3 | kJ/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
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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: 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° | 111. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; ΔrH?, incosistent with other sulfur compound dimers |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 116. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; ΔrH?, incosistent with other sulfur compound dimers |
Mass spectrum (electron ionization)
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, 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.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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 |
References
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), 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]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Pochinok and Limarenko, 1955
Pochinok, Ya.; Limarenko, A.P.,
Alkylation of Mercaptans with Alkylaryltriazines,
Ukrain. Khim. Zh., 1955, 21, 628-30. [all data]
Mcallan, Cullum, et al., 1951
Mcallan, D.T.; Cullum, T.V.; Dean, R.A.; Fidler, F.A.,
The Preparation and Properties of Sulfur Compounds Related to Petroleum I. The Dialkyl Sulfides and Disulfides,
J. Am. Chem. Soc., 1951, 73, 3627-32. [all data]
Trotter and Thompson, 1946
Trotter, I.F.; Thompson, H.W.,
Infrared SPectra of Thiols, Sulfides, and Disulfides,
J. Chem. Soc., 1946, 1946, 481. [all data]
Scott, Finke, et al., 1951
Scott, D.W.; Finke, H.L.; McCullough, J.P.; Gross, M.E.; Williamson, K.D.; Waddington, G.; Huffman, H.M.,
Thermodynamic Properties and Rotational Isomerism of 2-Thiabutane,
J. Am. Chem. Soc., 1951, 73, 261-5. [all data]
Shimizu, Saito, et al., 1981
Shimizu, M.; Saito, Y.; Kusano, K.,
, Preprints 17th Conf. Chem. Thermodyn. Thermal Anal., Japan, 1981, 50. [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]
Osborn and Douslin, 1966
Osborn, A.G.; Douslin, D.R.,
Vapor Pressure Relations of 36 Sulfur Compounds Present in Petroleum.,
J. Chem. Eng. Data, 1966, 11, 4, 502-509, https://doi.org/10.1021/je60031a014
. [all data]
Hubbard and Waddington, 2010
Hubbard, Ward N.; Waddington, Guy,
The heats of combustion, formation and isomerization of propanethiol-1, propane-thiol-2 and 2-thiabutane,
Recl. Trav. Chim. Pays-Bas, 2010, 73, 11, 910-923, https://doi.org/10.1002/recl.19540731107
. [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]
Scott, Finke, et al., 1951, 2
Scott, D.W.; Finke, H.L.; McCullough, J.P.; Gross, M.E.; Williamson, K.D.; Waddington, G.; Huffman, H.M.,
Thermodynamic properties and rotational isomerism of 2-thiabutane,
J. Am. Chem. Soc., 1951, 73, 261-265. [all data]
Mackle, Mayrick, et al., 1960
Mackle, H.; Mayrick, R.G.; Rooney, J.J.,
Measurement of heats of vaporization by the method of gas-liquid chromatography,
Trans. Faraday Soc., 1960, 56, 115, https://doi.org/10.1039/tf9605600115
. [all data]
Thompson and Linnett, 1935
Thompson, H.W.; Linnett, J.W.,
The vapour pressures of some alkyl sulphides,
Trans. Faraday Soc., 1935, 31, 1743, https://doi.org/10.1039/tf9353101743
. [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]
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]
Notes
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), References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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