Chemical Properties of 3-(Methylthio)benzoic acid, 2-propylpentyl ester

3-(Methylthio)benzoic acid, 2-propylpentyl ester

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InChI
InChI=1S/C16H24O2S/c1-4-7-13(8-5-2)12-18-16(17)14-9-6-10-15(11-14)19-3/h6,9-11,13H,4-5,7-8,12H2,1-3H3
InChI Key
FUFKGVXPYICPTF-UHFFFAOYSA-N
Formula
C16H24O2S
SMILES
CCCC(CCC)COC(=O)c1cccc(SC)c1
Molecular Weight1
280.43
Sources

Physical Properties

Property Value Unit Source
Δf -16.62 kJ/mol Joback Calculated Property
Δfgas -356.72 kJ/mol Joback Calculated Property
Δfus 34.24 kJ/mol Joback Calculated Property
Δvap 69.73 kJ/mol Joback Calculated Property
logPoct/wat 4.78 Crippen Calculated Property
Pc 1784.86 kPa Joback Calculated Property
Tboil 741.77 K Joback Calculated Property
Tc 955.49 K Joback Calculated Property
Tfus 400.58 K Joback Calculated Property
Vc 0.90 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 661.26 J/mol×K 741.77 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-CH3 3
=CH- (ring) 4
-CH2- 5
=C< (ring) 2
-S- 1
>C=O (nonring) 1

Similar Compounds

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

Find more compounds similar to 3-(Methylthio)benzoic acid, 2-propylpentyl ester.

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