- Formula: C4H10S
- Molecular weight: 90.187
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: BDFAOUQQXJIZDG-UHFFFAOYSA-N
- CAS Registry Number: 513-44-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Isobutyl mercaptan; 1-Isobutanethiol; 2-Methyl-1-propanethiol; iso-C4H9SH; Isobutanethiol; 2-Methyl-1-propylthiol; 2-Methyl propanethiol; 2-methylpropane-1-thiol
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
|fH°gas||-96.48 ± 0.88||kJ/mol||Ccr||Hubbard, Good, et al., 1958|
Condensed phase thermochemistry data
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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||-132.0 ± 0.88||kJ/mol||Ccr||Hubbard, Good, et al., 1958||Reanalyzed by Cox and Pilcher, 1970, Original value = -131.2 ± 0.88 kJ/mol; ALS|
|cH°liquid||-3473.5 ± 0.71||kJ/mol||Ccr||Hubbard, Good, et al., 1958||Reanalyzed by Cox and Pilcher, 1970, Original value = -3472.8 ± 0.71 kJ/mol; ALS|
|S°liquid||266.35||J/mol*K||N/A||Scott, McCullough, et al., 1958||DH|
Constant pressure heat capacity of liquid
|Cp,liquid (J/mol*K)||Temperature (K)||Reference||Comment|
|171.88||298.15||Scott, McCullough, et al., 1958||T = 10 to 350 K.; DH|
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes
Data compiled by: John E. Bartmess
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.
C4H9S- + =
By formula: C4H9S- + H+ = C4H10S
|rH°||1477. ± 9.2||kJ/mol||G+TS||Taft, 1987||gas phase; value altered from reference due to change in acidity scale|
|rG°||1451. ± 8.4||kJ/mol||IMRE||Taft, 1987||gas phase; value altered from reference due to change in acidity scale|
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Hubbard, Good, et al., 1958
Hubbard, W.N.; Good, W.D.; Waddington, G., The heats of combustion, formation and isomerization of the seven isomeric C4H10S alkane thiols and sulfides, J. Phys. Chem., 1958, 62, 614-617. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Scott, McCullough, et al., 1958
Scott, D.W.; McCullough, J.P.; Messerly, J.F.; Pennington, R.E.; Hossenlopp, I.A.; Finke, H.L.; Waddington, G., 2-Methyl-1-propanethiol: Chemical thermodynamic properties and rotational isomerism, J. Am. Chem. Soc., 1958, 80, 55-59. [all data]
Taft, R.W., The Nature and Analysis of Substitutent Electronic Effects, Personal communication. See also Prog. Phys. Org. Chem., 1987, 16, 1. [all data]
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction 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 rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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