Chemical Properties of Tert-octyl mercaptan (CAS 7341-16-4)

Tert-octyl mercaptan

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InChI
InChI=1S/C8H18S/c1-8(2,3)6-4-5-7-9/h9H,4-7H2,1-3H3
InChI Key
YBZXKSZKVDFBJI-UHFFFAOYSA-N
Formula
C8H18S
SMILES
CC(C)(C)CCCCS
Molecular Weight1
146.29
CAS
7341-16-4
Sources

Physical Properties

Property Value Unit Source
Δf 48.71 kJ/mol Joback Calculated Property
Δfgas -178.72 kJ/mol Joback Calculated Property
Δfus 13.10 kJ/mol Joback Calculated Property
Δvap 38.84 kJ/mol Joback Calculated Property
logPoct/wat 3.13 Crippen Calculated Property
Pc 2761.36 kPa Joback Calculated Property
Tboil 442.07 K Joback Calculated Property
Tc 639.83 K Joback Calculated Property
Tfus 218.80 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 287.00 J/mol×K 442.07 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH2- 4
-CH3 3
>C< 1
-SH 1

Similar Compounds

Tert-dodecyl mercaptan. Hexane, 2,2-dimethyl-. Hexane, 2,2,5-trimethyl-. Hexane, 2,2,5,5-tetramethyl-. 1-Pentanethiol, 4-methyl-. 2,2,6-Trimethylheptane. 2,2,6,6-Tetramethylheptane. Heptane, 2,2-dimethyl-. 1-Hexanethiol. 2,2-Dimethylicosane. 2,2-Dimethyldodecane. 2,2-Dimethyloctadecane. 2,2-Dimethyldocosane. 2,2-Dimethyltetracosane. 2,2,7,7-Tetramethyloctane.

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