Chemical Properties of Benzoic acid, 4-(isopropylthio)-, isopropyl ester

Benzoic acid, 4-(isopropylthio)-, isopropyl ester

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InChI
InChI=1S/C13H18O2S/c1-9(2)15-13(14)11-5-7-12(8-6-11)16-10(3)4/h5-10H,1-4H3
InChI Key
CVSBRDUPDMNVGA-UHFFFAOYSA-N
Formula
C13H18O2S
SMILES
CC(C)OC(=O)c1ccc(SC(C)C)cc1
Molecular Weight1
238.35
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Physical Properties

Property Value Unit Source
Δf -44.32 kJ/mol Joback Calculated Property
Δfgas -300.08 kJ/mol Joback Calculated Property
Δfus 22.95 kJ/mol Joback Calculated Property
Δvap 62.67 kJ/mol Joback Calculated Property
log10WS -4.36 Crippen Calculated Property
logPoct/wat 3.752 Crippen Calculated Property
McVol 194.060 ml/mol McGowan Calculated Property
Pc 2331.52 kPa Joback Calculated Property
Inp 1757.00 NIST
Tboil 672.69 K Joback Calculated Property
Tc 901.16 K Joback Calculated Property
Tfus 351.77 K Joback Calculated Property
Vc 0.722 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [500.34; 580.37] J/mol×K [672.69; 901.16] Show Hide
Cp,gas 500.34 J/mol×K 672.69 Joback Calculated Property
Cp,gas 516.33 J/mol×K 710.77 Joback Calculated Property
Cp,gas 531.24 J/mol×K 748.85 Joback Calculated Property
Cp,gas 545.08 J/mol×K 786.92 Joback Calculated Property
Cp,gas 557.87 J/mol×K 825.00 Joback Calculated Property
Cp,gas 569.62 J/mol×K 863.08 Joback Calculated Property
Cp,gas 580.37 J/mol×K 901.16 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Benzoic acid, 4-(isopropylthio)-, isopropyl ester.

Sources

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