Butane, 1-(methylthio)-

Formula: C₅H₁₂S
Molecular weight: 104.214
IUPAC Standard InChI: InChI=1S/C5H12S/c1-3-4-5-6-2/h3-5H2,1-2H3
IUPAC Standard InChIKey: WCXXISMIJBRDQK-UHFFFAOYSA-N
CAS Registry Number: 628-29-5
Chemical structure:
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Other names: Sulfide, butyl methyl; Butyl methyl sulfide; Butyl methyl thioether; Methyl butyl sulfide; 2-Thiahexane; 1-(Methylthio)butane; Butyl methyl sulphide; Methyl-n-butyl sulfide; n-Butyl methyl sulfide; α-(Methylthio)butane
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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

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_liquid	-142. ± 2.	kJ/mol	Ccb	Mackle and Mayrick, 1962	ALS
Δ_fH°_liquid	-143.0 ± 0.84	kJ/mol	Ccb	Geller, 1961	ALS
Δ_fH°_liquid	-142.8 ± 0.75	kJ/mol	Ccr	McCullough, Finke, et al., 1961	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-4142.1 ± 1.9	kJ/mol	Ccb	Mackle and Mayrick, 1962	ALS
Δ_cH°_liquid	-4141.9 ± 0.67	kJ/mol	Ccb	Geller, 1961	ALS
Δ_cH°_liquid	-4141.3 ± 0.67	kJ/mol	Ccr	McCullough, Finke, et al., 1961	ALS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	307.48	J/mol*K	N/A	McCullough, Finke, et al., 1961	DH

Constant pressure heat capacity of liquid

C_p,liquid (J/mol*K)	Temperature (K)	Reference	Comment
200.92	298.15	McCullough, Finke, et al., 1961	T = 11 to 370 K.; DH

References

Go To: Top, Condensed phase thermochemistry data, Notes

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]

Geller, 1961
Geller, B.E., Properties of the dimethylformamide water system. I. Thermochemical properties, Russ. J. Phys. Chem. (Engl. Transl.), 1961, 35, 542-564. [all data]

McCullough, Finke, et al., 1961
McCullough, J.P.; Finke, H.L.; Hubbard, W.N.; Todd, S.S.; Messerly, J.F.; Douslin, D.R.; Waddington, G., Thermodynamic properties of four linear thiaalkanes, J. Phys. Chem., 1961, 65, 784-791. [all data]

Notes

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Symbols used in this document:

C_p,liquid	Constant pressure heat capacity of liquid
S°_liquid	Entropy of liquid at standard conditions
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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