Chemical Properties of Benzoic acid, 4-(methylthio)-, propyl ester

Benzoic acid, 4-(methylthio)-, propyl ester

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InChI
InChI=1S/C11H14O2S/c1-3-8-13-11(12)9-4-6-10(14-2)7-5-9/h4-7H,3,8H2,1-2H3
InChI Key
UHEURQJWEFHWIT-UHFFFAOYSA-N
Formula
C11H14O2S
SMILES
CCCOC(=O)c1ccc(SC)cc1
Molecular Weight1
210.29
Sources

Physical Properties

Property Value Unit Source
Δf -56.28 kJ/mol Joback Calculated Property
Δfgas -248.24 kJ/mol Joback Calculated Property
Δfus 24.81 kJ/mol Joback Calculated Property
Δvap 58.99 kJ/mol Joback Calculated Property
logPoct/wat 2.98 Crippen Calculated Property
Pc 2784.72 kPa Joback Calculated Property
Tboil 627.81 K Joback Calculated Property
Tc 855.76 K Joback Calculated Property
Tfus 359.23 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 398.30 J/mol×K 627.81 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 4-(methylthio)-, butyl ester. Benzoic acid, 4-(methylthio)-, 2-methylpropyl ester. Benzoic acid, 4-(methylthio)-, pentyl ester. Benzoic acid, 4-(methylthio)-, ethyl ester. Benzoic acid, 4-(methylthio)-, 1-methylpropyl ester. Benzoic acid, 4-(methylthio)-, 3-methylbutyl ester. Benzoic acid, 4-(propylthio)-, propyl ester. Benzoic acid, 4-(methylthio)-, isopropyl ester. Benzoic acid, 4-(methylthio)-, 2-methylbutyl ester. Benzoic acid, 4-(ethylthio)-, ethyl ester. Benzoic acid, 4-(2-methylpropyl)thio-, 2-methylpropyl ester. Benzoic acid, 4-(butylthio)-, butyl ester. 4-Mercaptobenzoic acid, S-methyl-, methyl ester. 4-(Methylthio)benzoic acetic anhydride. 4-(Methylthio)benzoic acid, 2-propylpentyl ester.

Find more compounds similar to Benzoic acid, 4-(methylthio)-, propyl ester.

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