Propane, 2-(ethylthio)-2-methyl-
- Formula: C6H14S
- Molecular weight: 118.240
- IUPAC Standard InChIKey: GZJUDUMQICJSFJ-UHFFFAOYSA-N
- CAS Registry Number: 14290-92-7
- 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, tert-butyl ethyl; tert-Butyl ethyl sulfide; Ethyl tert-butyl sulfide; 1-(tert-Butylthio)ethane; 2-(Ethylthio)-2-methyl-propane; tert-Butyl ethyl sulphide; 2,2-Dimethyl-3-thiapentane
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Gas phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -148. ± 3. | kJ/mol | Ccb | Mackle and Mayrick, 1962 |
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 | -187. ± 2. | kJ/mol | Ccb | Mackle and Mayrick, 1962 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -4776.9 ± 2.1 | kJ/mol | Ccb | Mackle and Mayrick, 1962 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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:
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 | 390.3 | K | N/A | Darwish and Tourigny, 1972 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 393.56 | K | N/A | Ball, Bordwell, et al., 1954 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 393.56 | K | N/A | White, Barnard-Smith, et al., 1952 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 393.6 | K | N/A | Mcallan, Cullum, et al., 1951 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 393.3 | K | N/A | Mcallan, Cullum, et al., 1949 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 187.20 | K | N/A | Mcallan, Cullum, et al., 1951 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 184.20 | K | N/A | Mcallan, Cullum, et al., 1949 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 39.3 | kJ/mol | N/A | Reid, 1972 | AC |
ΔvapH° | 39. ± 1. | kJ/mol | V | Mackle and Mayrick, 1962 | ALS |
ΔvapH° | 39.0 | kJ/mol | N/A | Mackle and Mayrick, 1962 | DRB |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
39.2 | 308. | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 293. to 420. K.; AC |
37.1 | 347. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 332. to 400. K. See also White, Barnard--Smith, et al., 1952.; AC |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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
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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. |
---|---|
NIST MS number | 2068 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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]
Darwish and Tourigny, 1972
Darwish, D.; Tourigny, G.,
Solvolysis of tert-Butylethylmethylsulfonium Salts. The Effect of the Anion on Product Distribution,
J. Am. Chem. Soc., 1972, 94, 2190. [all data]
Ball, Bordwell, et al., 1954
Ball; Bordwell, F.G.; Smith, J.O.; Waddington, G.; Seyfried, K.,
Proc., Am. Pet. Inst., Sect. 4, 1954, 34, 106. [all data]
White, Barnard-Smith, et al., 1952
White, P.T.; Barnard-Smith, D.G.; Fidler, F.A.,
Vapor Pressure-Temperature Relationships of Sulfur Compounds Related to Petroleum,
Ind. Eng. Chem., 1952, 44, 1430. [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]
Mcallan, Cullum, et al., 1949
Mcallan, D.T.; Cullum, T.V.; Dean, R.A.; Fidler, F.A.,
, Report, Anglo-Iranian Oil Co., 1949. [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]
White, Barnard--Smith, et al., 1952
White, P.T.; Barnard--Smith, D.G.; Fidler, F.A.,
Vapor Pressure--Temperature Relationships of Sulfur Compounds Related to Petroleum,
Ind. Eng. Chem., 1952, 44, 6, 1430-1438, https://doi.org/10.1021/ie50510a064
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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°gas Enthalpy of formation of gas 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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