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

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

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
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Physical Properties

Property Value Unit Source
ΔfusH° 35.82 kJ/mol Joback Calculated Property
log10WS -5.72 Relay (1.0) Calculated Property
logPoct/wat 4.782 Crippen Calculated Property
McVol 236.330 ml/mol McGowan Calculated Property
Pc 1724.59 kPa Joback Calculated Property
Inp 2123.00 NIST
Tboil 622.32 K Relay (1.0) Calculated Property
Tfus 247.08 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [655.52; 740.33] J/mol×K [723.90; 935.77] Show Hide
Cp,gas 655.52 J/mol×K 723.90 Joback Calculated Property
Cp,gas 672.47 J/mol×K 759.21 Joback Calculated Property
Cp,gas 688.25 J/mol×K 794.52 Joback Calculated Property
Cp,gas 702.91 J/mol×K 829.84 Joback Calculated Property
Cp,gas 716.45 J/mol×K 865.15 Joback Calculated Property
Cp,gas 728.92 J/mol×K 900.46 Joback Calculated Property
Cp,gas 740.33 J/mol×K 935.77 Joback Calculated Property

Similar Compounds

Benzoic acid, 3-(methylthio)-, 2-methylbutyl ester. 2-(Methylthio)benzoic acid, 2-propylpentyl ester. 4-(Methylthio)benzoic acid, 2-propylpentyl ester. Benzoic acid, 3-(methylthio)-, pentyl ester. Benzoic acid, 3-(methylthio)-, 3-methylbutyl ester. Benzoic acid, 3-(pentylthio)-, pentyl ester. Benzoic acid, 3-(2-methylbutyl)thio-, 2-methylbutyl ester. Benzoic acid, 3-(methylthio)-, butyl ester. Benzoic acid, 2-ethylhexyl ester. m-Toluic acid, 2-ethylhexyl ester. Benzoic acid, 2-(methylthio)-, 2-methylbutyl ester. Benzoic acid, 3-(3-methylbutyl)thio-, 3-methylbutyl ester. 2-Ethylhexyl 3,4-dimethylbenzoate. Benzoic acid, cyclohexylmethyl ester. Benzoic acid, 3-(butylthio)-, butyl ester.

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

Sources

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