Chemical Properties of Benzoic acid, 3-(propylthio)-, propyl ester

Benzoic acid, 3-(propylthio)-, propyl ester

PDF Excel Molecule Calculator
InChI
InChI=1S/C13H18O2S/c1-3-8-15-13(14)11-6-5-7-12(10-11)16-9-4-2/h5-7,10H,3-4,8-9H2,1-2H3
InChI Key
GHCFRULQAYCUPG-UHFFFAOYSA-N
Formula
C13H18O2S
SMILES
CCCOC(=O)c1cccc(SCCC)c1
Molecular Weight1
238.35
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
Δf -39.44 kJ/mol Joback Calculated Property
Δfgas -289.52 kJ/mol Joback Calculated Property
Δfus 29.99 kJ/mol Joback Calculated Property
Δvap 63.44 kJ/mol Joback Calculated Property
log10WS -4.13 Crippen Calculated Property
logPoct/wat 3.756 Crippen Calculated Property
McVol 194.060 ml/mol McGowan Calculated Property
Pc 2295.91 kPa Joback Calculated Property
Inp [1851.00; 1851.00]   Show Hide
Inp 1851.00 NIST
Inp 1851.00 NIST
Tboil 673.57 K Joback Calculated Property
Tc 893.32 K Joback Calculated Property
Tfus 381.77 K Joback Calculated Property
Vc 0.734 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [499.32; 576.85] J/mol×K [673.57; 893.32] Show Hide
Cp,gas 499.32 J/mol×K 673.57 Joback Calculated Property
Cp,gas 514.64 J/mol×K 710.20 Joback Calculated Property
Cp,gas 528.98 J/mol×K 746.82 Joback Calculated Property
Cp,gas 542.35 J/mol×K 783.45 Joback Calculated Property
Cp,gas 554.78 J/mol×K 820.07 Joback Calculated Property
Cp,gas 566.27 J/mol×K 856.70 Joback Calculated Property
Cp,gas 576.85 J/mol×K 893.32 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Benzoic acid, 3-(propylthio)-, propyl 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.