Propane, 1,1'-thiobis[2-methyl-
- Formula: C8H18S
- Molecular weight: 146.294
- IUPAC Standard InChIKey: CMWSRWTXVQLHNX-UHFFFAOYSA-N
- CAS Registry Number: 592-65-4
- 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: Isobutyl sulfide; 1,1'-Thiobis(2-methyl-propane); Diisobutyl sulphide; (iso-C4H9)2S; Sulfide, diisobutyl-; Diisobutyl sulfide; 2,6-Dimethyl-4-thiaheptane; Di(2-methylpropyl) sulfide
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Condensed phase thermochemistry data
Go To: Top, Phase change 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -54.8 ± 0.4 | kcal/mol | Ccb | Mackle and Mayrick, 1962 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1456.30 ± 0.37 | kcal/mol | Ccb | Mackle and Mayrick, 1962 |
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 445. to 446. | K | N/A | Buckingham and Donaghy, 1982 | BS |
Tboil | 445.2 | K | N/A | Lecat, 1947 | Uncertainty assigned by TRC = 0.6 K; TRC |
Tboil | 447. | K | N/A | Mann and Purdie, 1935 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 167.65 | K | N/A | Timmermans and Mattaar, 1921 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 11.64 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 11.6 | kcal/mol | N/A | Shimizu, Saito, et al., 1981 | AC |
ΔvapH° | 11.6 ± 0.2 | kcal/mol | GC | Mackle and McClean, 1964 | AC |
ΔvapH° | 11.9 ± 0.4 | kcal/mol | V | Mackle and Mayrick, 1962 | ALS |
ΔvapH° | 12.0 | kcal/mol | N/A | Mackle and Mayrick, 1962 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
11.1 | 335. | A | Stephenson and Malanowski, 1987 | Based on data from 325. to 346. K. See also Dykyj, Svoboda, et al., 1999.; AC |
10.3 | 336. | EB | Mackle and Mayrick, 1962, 2 | Based on data from 326. to 346. K.; AC |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, Phase change 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.32 | CTS | Aloisi, Santini, et al., 1974 | LLK |
8.36 ± 0.05 | EI | Khvostenko and Furlei, 1968 | RDSH |
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-3129 |
NIST MS number | 229268 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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.
Mackle and Mayrick, 1962
Mackle, H.; Mayrick, R.G.,
Studies in the thermochemistry of organic sulphides. Part 2. The gas-phase heats of formation of ten aliphatic sulphides,
Trans. Faraday Soc., 1962, 58, 230-237. [all data]
Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M.,
Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]
Lecat, 1947
Lecat, M.,
Orthobaric Azeotropes of Sulfides,
Bull. Cl. Sci., Acad. R. Belg., 1947, 33, 160-82. [all data]
Mann and Purdie, 1935
Mann, F.G.; Purdie, D.,
The Constitution of Complex Metallic Salts III. The Parachors of Palladium and Mercury in Simple and Complex Compounds,
J. Chem. Soc., 1935, 1935, 1549. [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]
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]
Shimizu, Saito, et al., 1981
Shimizu, M.; Saito, Y.; Kusano, K.,
, Preprints 17th Conf. Chem. Thermodyn. Thermal Anal., Japan, 1981, 50. [all data]
Mackle and McClean, 1964
Mackle, H.; McClean, R.T.B.,
Measurement of vaporization heats by the method of gas-liquid chromatography. Part 2,
Trans. Faraday Soc., 1964, 60, 817, https://doi.org/10.1039/tf9646000817
. [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]
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]
Mackle and Mayrick, 1962, 2
Mackle, H.; Mayrick, R.G.,
Studies in the thermochemistry of organic sulphides. Part 2.?The gas-phase heats of formation of ten aliphatic sulphides,
Trans. Faraday Soc., 1962, 58, 230, https://doi.org/10.1039/tf9625800230
. [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]
Khvostenko and Furlei, 1968
Khvostenko, V.I.; Furlei, I.I.,
Ionisation potentials of sulphides,
Zh. Fiz. Khim., 1968, 42, 13, In original 5. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid 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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