3-((1,1-Dimethylethyl)-thio)-1-propene

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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
Δfgas-46. ± 2.kJ/molCcbMackle and Mayrick, 1962Authors' Ucomb=-948.27 kcal/mol

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
Δfliquid-90.7 ± 1.6kJ/molCcbMackle and Mayrick, 1962Authors' Ucomb=-948.27 kcal/mol
Quantity Value Units Method Reference Comment
Δcliquid-5266.6 ± 2.5kJ/molCcbMackle and Mayrick, 1962Authors' Ucomb=-948.27 kcal/mol

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:
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
Δvap44.8kJ/molEBMackle and Mayrick, 1962, 2Based on data from 319. to 339. K.; AC
Δvap44. ± 1.kJ/molCMackle and Mayrick, 1962Authors' Ucomb=-948.27 kcal/mol; ALS
Δvap44.7kJ/molN/AMackle and Mayrick, 1962DRB

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
41.9332.N/ADykyj, Svoboda, et al., 1999Based on data from 319. to 339. K.; AC
43.1329.A,EBStephenson and Malanowski, 1987Based on data from 319. to 339. K. See also Mackle and Mayrick, 1962, 2.; AC

Reaction 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

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

3-((1,1-Dimethylethyl)-thio)-1-propene = (E) t-Butyl-1-propenylsulfide

By formula: C7H14S = C7H14S

Quantity Value Units Method Reference Comment
Δr-13.7 ± 1.3kJ/molEqkKimmelma, 1988liquid phase; solvent: DMSO; NMR

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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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 NIST Mass Spectrometry Data Center
NIST MS number 343685

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 thermochemistry of organic sulphides. Part 3.-The gas-phase heats of formation of diphenyl sulphide, dibenzyl sulphide, diphenyl disulphide,4-thia-1-hexene and 4-thia-5,5-dimethyl-1-hexene, Trans. Faraday Soc., 1962, 58, 238-243. [all data]

Mackle and Mayrick, 1962, 2
Mackle, H.; Mayrick, R.G., Studies in the thermochemistry of organic sulphides. Part 3.?The gas-phase heats of formation of diphenyl sulphide, dibenzyl sulphide, diphenyl disulphide, 4-thia-1-hexene and 4-thia-5,5-dimethyl-1-hexene, Trans. Faraday Soc., 1962, 58, 238, https://doi.org/10.1039/tf9625800238 . [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]

Kimmelma, 1988
Kimmelma, R., Structure-stability relationships in vinyl sulfides. III. Stabilization caused by different alkylthio and phenylthio groups attached to an olefinic double bond, Acta Chem. Scand., 1988, 42, 550-555. [all data]


Notes

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