Chemical Properties of Benzoic acid, 3-(methylthio)-, neopentyl ester

Benzoic acid, 3-(methylthio)-, neopentyl ester

InChI
InChI=1S/C13H18O2S/c1-13(2,3)9-15-12(14)10-6-5-7-11(8-10)16-4/h5-8H,9H2,1-4H3
InChI Key
DZYDUOFPBZXUCO-UHFFFAOYSA-N
Formula
C13H18O2S
SMILES
CSc1cccc(C(=O)OCC(C)(C)C)c1
Molecular Weight1
238.35
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Physical Properties

Property Value Unit Source
ΔfusH° 24.16 kJ/mol Joback Calculated Property
logPoct/wat 3.611 Crippen Calculated Property
McVol 194.060 ml/mol McGowan Calculated Property
Tboil 586.46 K Relay (1.0) Calculated Property
Tfus 324.50 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, Ionization energy, 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 [497.74; 578.12] J/mol×K [652.47; 883.02] Show Hide
Cp,gas 497.74 J/mol×K 652.47 Joback Calculated Property
Cp,gas 514.03 J/mol×K 690.89 Joback Calculated Property
Cp,gas 529.11 J/mol×K 729.32 Joback Calculated Property
Cp,gas 543.01 J/mol×K 767.74 Joback Calculated Property
Cp,gas 555.78 J/mol×K 806.17 Joback Calculated Property
Cp,gas 567.47 J/mol×K 844.59 Joback Calculated Property
Cp,gas 578.12 J/mol×K 883.02 Joback Calculated Property

Similar Compounds

Benzoic acid, 3-(methylthio)-, 2-methylpropyl ester. Benzoic acid, 3-(methylthio)-, propyl ester. Benzoic acid, 3-(methylthio)-, butyl ester. Benzoic acid, 3-(methylthio)-, ethyl ester. Benzoic acid, 3-(methylthio)-, 2-methylbutyl ester. Benzoic acid, 3-(2-methylpropyl)thio-, 2-methylpropyl ester. Benzoic acid, 3-(methylthio)-, 1-methylpropyl ester. Benzoic acid, 3-(methylthio)-, pentyl ester. Benzoic acid, 2-(methylthio)-, neopentyl ester. Benzoic acid, 3-(methylthio)-, 3-methylbutyl ester. Benzoic acid, 3-(propylthio)-, propyl ester. Benzoic acid, 3-(methylthio)-, isopropyl ester. Benzoic acid, 3-(ethylthio)-, ethyl ester. 3-CH3S-C6H4-COOCH3. Benzoic acid, 2-(methylthio)-, 2-methylpropyl ester.

Find more compounds similar to Benzoic acid, 3-(methylthio)-, neopentyl ester.

Sources

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