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
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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 | -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
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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:
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)
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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. |
---|---|
NIST MS number | 2068 |
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
View image of digitized spectrum (can be printed in landscape orientation).
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Download spectrum in JCAMP-DX format.
Source | Bol'shakov, et al., 1969 |
---|---|
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. 20112 |
Instrument | unknown |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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.
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]
Bol'shakov, et al., 1969
Bol'shakov, G.F., et al.,
Ultraviolet spectra of heteroorganic compounds, 1969, 102. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, 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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