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

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

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InChI
InChI=1S/C11H14O2S/c1-8(2)13-11(12)9-4-6-10(14-3)7-5-9/h4-8H,1-3H3
InChI Key
QFMRTDBHSKNEEC-UHFFFAOYSA-N
Formula
C11H14O2S
SMILES
CSc1ccc(C(=O)OC(C)C)cc1
Molecular Weight1
210.29
Sources

Physical Properties

Property Value Unit Source
Δf -58.72 kJ/mol Joback Calculated Property
Δfgas -253.52 kJ/mol Joback Calculated Property
Δfus 21.29 kJ/mol Joback Calculated Property
Δvap 58.60 kJ/mol Joback Calculated Property
logPoct/wat 2.97 Crippen Calculated Property
Pc 2808.38 kPa Joback Calculated Property
Tboil 627.37 K Joback Calculated Property
Tc 860.16 K Joback Calculated Property
Tfus 344.23 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 398.78 J/mol×K 627.37 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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

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