Propane, 2-(methylthio)-
- Formula: C4H10S
- Molecular weight: 90.187
- IUPAC Standard InChIKey: ROSSIHMZZJOVOU-UHFFFAOYSA-N
- CAS Registry Number: 1551-21-9
- 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, isopropyl methyl; Isopropyl methyl sulfide; Methyl isopropyl sulfide; 3-Methyl-2-thiabutane; 2-(Methylthio)propane; Isopropyl methyl sulphide
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -89.66 ± 0.75 | kJ/mol | Ccr | Hubbard, Good, et al., 1958 |
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 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 |
---|---|---|---|---|---|
ΔfH°liquid | -124.7 ± 0.75 | kJ/mol | Ccr | Hubbard, Good, et al., 1958 | Reanalyzed by Cox and Pilcher, 1970, Original value = -123.9 ± 0.75 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -3480.8 ± 0.59 | kJ/mol | Ccr | Hubbard, Good, et al., 1958 | Reanalyzed by Cox and Pilcher, 1970, Original value = -3480.1 ± 0.59 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 263.09 | J/mol*K | N/A | McCullough, Finke, et al., 1955 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
172.38 | 298.15 | McCullough, Finke, et al., 1955 | T = 12 to 344 K.; DH |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
8.7 ± 0.2 | EI | Hobrock and Kiser, 1963 |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CHS+ | 16.4 ± 0.4 | ? | EI | Hobrock and Kiser, 1963 | |
CH2S+ | 15.5 ± 0.4 | ? | EI | Hobrock and Kiser, 1963 | |
CH3+ | 19.4 ± 0.5 | ? | EI | Hobrock and Kiser, 1963 | |
CH3S+ | 15.3 ± 0.2 | ? | EI | Hobrock and Kiser, 1963 | |
CH4S+ | 12.0 ± 0.2 | ? | EI | Hobrock and Kiser, 1963 | |
CH5S+ | 12.1 ± 0.2 | ? | EI | Hobrock and Kiser, 1963 | |
C2H3+ | 16.5 ± 0.5 | ? | EI | Hobrock and Kiser, 1963 | |
C2H3S+ | 16.1 ± 0.3 | ? | EI | Hobrock and Kiser, 1963 | |
C2H5S+ | 13.5 ± 0.3 | ? | EI | Hobrock and Kiser, 1963 | |
C3H3+ | 21.0 ± 0.5 | ? | EI | Hobrock and Kiser, 1963 | |
C3H5+ | 15.2 ± 0.2 | ? | EI | Hobrock and Kiser, 1963 | |
C3H6+ | 13.5 | ? | EI | Hobrock and Kiser, 1963 | |
C3H7+ | 12.7 ± 0.2 | ? | EI | Hobrock and Kiser, 1963 | |
C3H7S+ | 11.7 ± 0.2 | CH3 | EI | Hobrock and Kiser, 1963 |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hubbard, Good, et al., 1958
Hubbard, W.N.; Good, W.D.; Waddington, G.,
The heats of combustion, formation and isomerization of the seven isomeric C4H10S alkane thiols and sulfides,
J. Phys. Chem., 1958, 62, 614-617. [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]
McCullough, Finke, et al., 1955
McCullough, J.P.; Finke, H.L.; Messerly, J.F.; Pennington, R.E.; Hossenlopp, I.A.; Waddington, G.,
3-Methyl-2-thiabutane: calorimetric studies from 12 to 500 K., the chemical thermodynamic properties from 0 to 1000 K,
J. Am. Chem. Soc., 1955, 77, 6119-6125. [all data]
Hobrock and Kiser, 1963
Hobrock, B.G.; Kiser, R.W.,
Electron impact investigations of sulfur compounds. II. 3-Methyl-2-thiabutane, 4-thia-1-pentene, and 3,4-dithiahexane,
J. Phys. Chem., 1963, 67, 648. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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