- Formula: C5H12S
- Molecular weight: 104.214
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: CJFVCTVYZFTORU-UHFFFAOYSA-N
- CAS Registry Number: 6163-64-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Sulfide, tert-butyl methyl; tert-Butyl methyl sulfide; Methyl tert-butyl sulfide; 3,3-Dimethyl-2-thiabutane; 2-Methyl-2-(methylthio)-propane; tert-Butyl methyl sulphide; (CH3)3CSCH3; Methyl t-butyl sulfide; NSC 97331
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
|fH°gas||-28.93 ± 0.18||kcal/mol||Ccb||Scott, Good, et al., 1962|
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, References, Notes
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
|fH°liquid||-37.49 ± 0.18||kcal/mol||Ccb||Scott, Good, et al., 1962||ALS|
|cH°liquid||-986.42 ± 0.15||kcal/mol||Ccb||Scott, Good, et al., 1962||ALS|
|S°liquid||65.999||cal/mol*K||N/A||Scott, Good, et al., 1962||DH|
Constant pressure heat capacity of liquid
|Cp,liquid (cal/mol*K)||Temperature (K)||Reference||Comment|
|47.789||298.15||Scott, Good, et al., 1962||T = 15 to 364 K.; DH|
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Scott, Good, et al., 1962
Scott, D.W.; Good, W.D.; Todd, S.S.; Messerly, J.F.; Berg, W.T.; Hossenlopp, I.A.; Lacina, J.L.; Osborn, A.; McCullough, J.P., 3,3-Dimethyl-2-thiabutane: Chemical thermodynamic properties and barriers to internal rotation, J. Chem. Phys., 1962, 36, 406-412. [all data]
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions cH°liquid Enthalpy of combustion of liquid at standard conditions fH°gas Enthalpy of formation of gas at standard conditions fH°liquid Enthalpy of formation of liquid at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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