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

Benzoic acid, 2-(methylthio)-, isopropyl ester

InChI
InChI=1S/C11H14O2S/c1-8(2)13-11(12)9-6-4-5-7-10(9)14-3/h4-8H,1-3H3
InChI Key
DWRKZLZVARMJKR-UHFFFAOYSA-N
Formula
C11H14O2S
SMILES
CSc1ccccc1C(=O)OC(C)C
Molecular Weight1
210.29
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 22.87 kJ/mol Joback Calculated Property
log10WS -3.48 Relay (1.0) Calculated Property
logPoct/wat 2.974 Crippen Calculated Property
McVol 165.880 ml/mol McGowan Calculated Property
Inp 1642.00 NIST
Tboil 543.92 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 [395.00; 469.19] J/mol×K [609.50; 840.27] Show Hide
Cp,gas 395.00 J/mol×K 609.50 Joback Calculated Property
Cp,gas 409.83 J/mol×K 647.96 Joback Calculated Property
Cp,gas 423.66 J/mol×K 686.42 Joback Calculated Property
Cp,gas 436.50 J/mol×K 724.89 Joback Calculated Property
Cp,gas 448.36 J/mol×K 763.35 Joback Calculated Property
Cp,gas 459.25 J/mol×K 801.81 Joback Calculated Property
Cp,gas 469.19 J/mol×K 840.27 Joback Calculated Property

Similar Compounds

Benzoic acid, 2-(methylthio)-, ethyl ester. Benzoic acid, 2-(methylthio)-, tert.-butyl ester. Benzoic acid, 2-(methylthio)-, 1-methylpropyl ester. Benzoic acid, 2-(methylthio)-, propyl ester. Benzoic acid, 2-(isopropylthio)-, isopropyl ester. 2-(Methylthio)benzoic acetic anhydride. Benzoic acid, 2-(ethylthio)-, ethyl ester. Benzoic acid, 2-(methylthio)-, methyl ester. Benzoic acid, 2-(methylthio)-, 2-methylpropyl ester. Benzoic acid, 2-(methylthio)-, neopentyl ester. Benzoic acid, 2-(methylthio)-, butyl ester. Benzoic acid, 3-(methylthio)-, isopropyl ester. Benzoic acid, 2-(isopropylthio)-. 2-(Methylthio)benzoic trifluoroacetic anhydride. Benzoic acid, 2-(methylthio)-, 3-methylbutyl ester.

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.