Chemical Properties of Propanethioic acid, s-(2-methylpropyl) ester (CAS 2432-48-6)

Propanethioic acid, s-(2-methylpropyl) ester

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InChI
InChI=1S/C7H14OS/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3
InChI Key
WFEQYXZOOLMWEM-UHFFFAOYSA-N
Formula
C7H14OS
SMILES
CCC(=O)SCC(C)C
Molecular Weight1
146.25
CAS
2432-48-6
Other Names
  • Propionic acid, thio-, S-isobutyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -90.18 kJ/mol Joback Calculated Property
Δfgas -263.80 kJ/mol Joback Calculated Property
Δfus 16.09 kJ/mol Joback Calculated Property
Δvap 44.35 kJ/mol Joback Calculated Property
logPoct/wat 2.31 Crippen Calculated Property
Pc 3079.57 kPa Joback Calculated Property
Tboil 481.77 K Joback Calculated Property
Tc 684.48 K Joback Calculated Property
Tfus 237.98 K Joback Calculated Property
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 264.67 J/mol×K 481.77 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-S- 1
>C=O (nonring) 1
-CH2- 2
-CH3 3

Similar Compounds

isobutyl thiobutyrate. Ethanethioic acid, S-(2-methylpropyl) ester. Propanethioic acid, S-propyl ester. s-Ethyl thiopropionate. Propanethioic acid, s-butyl ester. n-propyl thiobutyrate. Ethanethioic acid, s-(2-methylbutyl) ester. Butanethioic acid, s-butyl ester. Ethanethioic acid, s-propyl ester. Ethyl thiobutyrate. sec-butyl thiopropionate. Propanethioic acid, s-(1-methylethyl) ester. S-methyl 2-methylpropanethioate. Pentanethioic acid, S-propyl ester. Butyl thiolacetate.

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