Chemical Properties of 3-Pentanethiol, 3-methyl- (CAS 1639-03-8)

3-Pentanethiol, 3-methyl-

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InChI
InChI=1S/C6H14S/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3
InChI Key
AJWVDGABWLKIGT-UHFFFAOYSA-N
Formula
C6H14S
SMILES
CCC(C)(S)CC
Molecular Weight1
118.24
CAS
1639-03-8
Other Names
  • 3-Methyl-3-pentanethiol
  • 3-methylpentane-3-thiol
Sources

Physical Properties

Property Value Unit Source
Δf 31.87 kJ/mol Joback Calculated Property
Δfgas -137.44 kJ/mol Joback Calculated Property
Δfus 7.92 kJ/mol Joback Calculated Property
Δvap 34.39 kJ/mol Joback Calculated Property
logPoct/wat 2.49 Crippen Calculated Property
Pc 3415.86 kPa Joback Calculated Property
Tboil 396.31 K Joback Calculated Property
Tc 598.05 K Joback Calculated Property
Tfus 196.26 K Joback Calculated Property
Vc 0.41 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 206.50 J/mol×K 396.31 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH2- 2
-CH3 3
>C< 1
-SH 1

Similar Compounds

2-Butanethiol, 2-methyl-. 2-Pentanethiol, 2-methyl-. 2-Butanethiol, 2,3-dimethyl-. 3-Pentanethiol. Cyclopentanethiol, 1-methyl-. 3-Pentanethiol, 2-methyl-. 3-Methylpentan-2-thiol, erythro. 3-Methylpentan-2-thiol, threo. 2-Butanethiol, 3-methyl-. 3-Hexanethiol. 1-Pentanethiol, 3-methyl-. 2-Ethylbutan-1-thiol. 2-Pentanethiol, 4-methyl-. Butane, 2-methyl-2-(methylthio)-. 3-Mercapto-3-methylbutanal.

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