Chemical Properties of Benzoic acid, 2-(methylthio)- (CAS 3724-10-5)

Benzoic acid, 2-(methylthio)-

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InChI
InChI=1S/C8H8O2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key
LWJQGKJCZOGGPJ-UHFFFAOYSA-N
Formula
C8H8O2S
SMILES
CSc1ccccc1C(=O)O
Molecular Weight1
168.21
CAS
3724-10-5
Sources

Physical Properties

Property Value Unit Source
Δf -113.36 kJ/mol Joback Calculated Property
Δfgas -206.33 kJ/mol Joback Calculated Property
Δfus 19.95 kJ/mol Joback Calculated Property
Δvap 66.58 kJ/mol Joback Calculated Property
logPoct/wat 2.11 Crippen Calculated Property
Pc 4456.32 kPa Joback Calculated Property
Tboil 628.93 K Joback Calculated Property
Tc 853.69 K Joback Calculated Property
Tfus 364.01 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 278.94 J/mol×K 628.93 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 2-(methylthio)-, methyl ester. Benzoic acid, 2-(methylthio)-, ethyl ester. Benzoic acid, 2-mercapto-. Benzoic acid, 2-(ethylthio)-, methyl ester. Benzoic acid, 2-(methylthio)-, isopropyl ester. Benzoic acid, 2-(methylthio)-, propyl ester. Benzoic acid, 2-isopropylthio-, methyl ester. Benzoic acid, 2-(propylthio)-, methyl ester. Benzoic acid, 2-(methylthio)-, tert.-butyl ester. Benzoic acid, 2-(ethylthio)-, ethyl ester. Benzoic acid, 2-(methylthio)-, butyl ester. Benzoic acid, 2-(methylthio)-, 2-methylpropyl ester. Benzoic acid, 2-(butylthio)-, methyl ester. Benzoic acid, 2-(2-methylpropyl)thio-, methyl ester. 2-(Methylthio)benzoic acid anhydride.

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