Chemical Properties of Benzoic acid, 4-(methylthio)-, 1-methylpropyl ester

Benzoic acid, 4-(methylthio)-, 1-methylpropyl ester

InChI
InChI=1S/C12H16O2S/c1-4-9(2)14-12(13)10-5-7-11(15-3)8-6-10/h5-9H,4H2,1-3H3
InChI Key
XMQNLDGBHVGQHD-UHFFFAOYSA-N
Formula
C12H16O2S
SMILES
CCC(C)OC(=O)c1ccc(SC)cc1
Molecular Weight1
224.32
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Physical Properties

Property Value Unit Source
ΔfusH° 23.88 kJ/mol Joback Calculated Property
IE 8.50 eV Relay (1.0) Calculated Property
logPoct/wat 3.364 Crippen Calculated Property
McVol 179.970 ml/mol McGowan Calculated Property
Inp 1785.00 NIST
Tboil 572.64 K Relay (1.0) Calculated Property
Tfus 294.79 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, Log10 of Water solubility in mol/l 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 [448.59; 524.75] J/mol×K [650.25; 878.49] Show Hide
Cp,gas 448.59 J/mol×K 650.25 Joback Calculated Property
Cp,gas 463.72 J/mol×K 688.29 Joback Calculated Property
Cp,gas 477.86 J/mol×K 726.33 Joback Calculated Property
Cp,gas 491.02 J/mol×K 764.37 Joback Calculated Property
Cp,gas 503.21 J/mol×K 802.41 Joback Calculated Property
Cp,gas 514.45 J/mol×K 840.45 Joback Calculated Property
Cp,gas 524.75 J/mol×K 878.49 Joback Calculated Property

Similar Compounds

Benzoic acid, 3-(methylthio)-, 1-methylpropyl ester. Benzoic acid, 4-(methylthio)-, propyl ester. Benzoic acid, 4-(methylthio)-, butyl ester. Benzoic acid, 4-(1-methylpropyl)thio)-, 1-methylpropyl ester. Benzoic acid, 4-(methylthio)-, isopropyl ester. SEC-BUTYL BENZOATE. Benzoic acid, 2-(methylthio)-, 1-methylpropyl ester. 4-Chlorobenzoic acid, 2-butyl ester. Benzoic acid, 4-(methylthio)-, pentyl ester. Benzoic acid, 4-(methylthio)-, 2-methylpropyl ester. Benzoic acid, 4-(methylthio)-, 3-methylbutyl ester. Benzoic acid, 4-(propylthio)-, propyl ester. Benzoic acid, 4-(methylthio)-, 2-methylbutyl ester. Benzoic acid, 4-methoxy-, 1-methylpropyl ester. Benzoic acid, 4-amino-, 1-methylpropyl ester.

Find more compounds similar to Benzoic acid, 4-(methylthio)-, 1-methylpropyl ester.

Sources

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