Chemical Properties of Benzoic acid, 2-(methylthio)-, 1-methylpropyl ester

Benzoic acid, 2-(methylthio)-, 1-methylpropyl ester

InChI
InChI=1S/C12H16O2S/c1-4-9(2)14-12(13)10-7-5-6-8-11(10)15-3/h5-9H,4H2,1-3H3
InChI Key
VXEDCQZRCDVWNK-UHFFFAOYSA-N
Formula
C12H16O2S
SMILES
CCC(C)OC(=O)c1ccccc1SC
Molecular Weight1
224.33
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Physical Properties

Property Value Unit Source
ΔfusH° 25.46 kJ/mol Joback Calculated Property
log10WS -3.70 Relay (1.0) Calculated Property
logPoct/wat 3.364 Crippen Calculated Property
McVol 179.970 ml/mol McGowan Calculated Property
Inp 1740.00 NIST
Tboil 564.38 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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 [444.37; 521.70] J/mol×K [632.38; 858.71] Show Hide
Cp,gas 444.37 J/mol×K 632.38 Joback Calculated Property
Cp,gas 459.82 J/mol×K 670.10 Joback Calculated Property
Cp,gas 474.22 J/mol×K 707.82 Joback Calculated Property
Cp,gas 487.60 J/mol×K 745.54 Joback Calculated Property
Cp,gas 499.96 J/mol×K 783.26 Joback Calculated Property
Cp,gas 511.33 J/mol×K 820.98 Joback Calculated Property
Cp,gas 521.70 J/mol×K 858.71 Joback Calculated Property

Similar Compounds

Benzoic acid, 2-(methylthio)-, propyl ester. Benzoic acid, 2-(methylthio)-, butyl ester. Benzoic acid, 2-(methylthio)-, isopropyl ester. Benzoic acid, 2-(1-methylpropyl)thio-, 1-methylpropyl ester. Benzoic acid, 3-(methylthio)-, 1-methylpropyl ester. Benzoic acid, 2-(methylthio)-, 2-methylpropyl ester. Benzoic acid, 2-(methylthio)-, pentyl ester. Benzoic acid, 2-(methylthio)-, 3-methylbutyl ester. Benzoic acid, 2-(methylthio)-, 2-methylbutyl ester. Benzoic acid, 2-(methylthio)-, neopentyl ester. Benzoic acid, 2-(propylthio)-, propyl ester. Benzoic acid, 4-(methylthio)-, 1-methylpropyl ester. Benzoic acid, 2-(methylthio)-, ethyl ester. Benzoic acid, 2-(2-methylpropyl)thio-, 2-methylpropyl ester. Benzoic acid, 3-(1-methylpropyl)thio-, 1-methylpropyl ester.

Find more compounds similar to Benzoic acid, 2-(methylthio)-, 1-methylpropyl ester.

Sources

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