Chemical Properties of Benzoic acid, 3-(methylthio)-, 1-methylpropyl ester

Benzoic acid, 3-(methylthio)-, 1-methylpropyl ester

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InChI
InChI=1S/C12H16O2S/c1-4-9(2)14-12(13)10-6-5-7-11(8-10)15-3/h5-9H,4H2,1-3H3
InChI Key
LAPCIJOSGBARRK-UHFFFAOYSA-N
Formula
C12H16O2S
SMILES
CCC(C)OC(=O)c1cccc(SC)c1
Molecular Weight1
224.32
Sources

Physical Properties

Property Value Unit Source
Δf -50.30 kJ/mol Joback Calculated Property
Δfgas -274.16 kJ/mol Joback Calculated Property
Δfus 23.88 kJ/mol Joback Calculated Property
Δvap 60.83 kJ/mol Joback Calculated Property
logPoct/wat 3.36 Crippen Calculated Property
Pc 2543.05 kPa Joback Calculated Property
Tboil 650.25 K Joback Calculated Property
Tc 878.49 K Joback Calculated Property
Tfus 355.50 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 448.59 J/mol×K 650.25 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-CH3 3
=CH- (ring) 4
-CH2- 1
=C< (ring) 2
-S- 1
>C=O (nonring) 1

Similar Compounds

Benzoic acid, 3-(methylthio)-, propyl ester. Benzoic acid, 3-(methylthio)-, isopropyl ester. Benzoic acid, 3-(methylthio)-, butyl ester. Benzoic acid, 3-(methylthio)-, 2-methylpropyl ester. Benzoic acid, 3-(methylthio)-, pentyl ester. Benzoic acid, 3-(methylthio)-, neopentyl ester. Benzoic acid, 3-(1-methylpropyl)thio-, 1-methylpropyl ester. Benzoic acid, 3-(methylthio)-, 3-methylbutyl ester. Benzoic acid, 3-(methylthio)-, ethyl ester. Benzoic acid, 3-(methylthio)-, 2-methylbutyl ester. Benzoic acid, 3-(propylthio)-, propyl ester. Benzoic acid, 3-(isopropylthio)-, isopropyl ester. Benzoic acid, 3-(ethylthio)-, ethyl ester. 3-(Methylthio)benzoic acid, 2-propylpentyl ester. Benzoic acid, 3-(butylthio)-, butyl ester.

Find more compounds similar to Benzoic acid, 3-(methylthio)-, 1-methylpropyl ester.

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