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

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

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InChI
InChI=1S/C11H14O2S/c1-8(2)13-11(12)9-4-6-10(14-3)7-5-9/h4-8H,1-3H3
InChI Key
QFMRTDBHSKNEEC-UHFFFAOYSA-N
Formula
C11H14O2S
SMILES
CSc1ccc(C(=O)OC(C)C)cc1
Molecular Weight1
210.29
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Physical Properties

Property Value Unit Source
Δf -58.72 kJ/mol Joback Calculated Property
Δfgas -253.52 kJ/mol Joback Calculated Property
Δfus 21.29 kJ/mol Joback Calculated Property
Δvap 58.60 kJ/mol Joback Calculated Property
log10WS -3.41 Crippen Calculated Property
logPoct/wat 2.974 Crippen Calculated Property
McVol 165.880 ml/mol McGowan Calculated Property
Pc 2808.38 kPa Joback Calculated Property
Inp [1681.00; 1681.00]   Show Hide
Inp 1681.00 NIST
Inp 1681.00 NIST
Tboil 627.37 K Joback Calculated Property
Tc 860.16 K Joback Calculated Property
Tfus 344.23 K Joback Calculated Property
Vc 0.616 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [398.78; 471.77] J/mol×K [627.37; 860.16] Show Hide
Cp,gas 398.78 J/mol×K 627.37 Joback Calculated Property
Cp,gas 413.29 J/mol×K 666.17 Joback Calculated Property
Cp,gas 426.85 J/mol×K 704.97 Joback Calculated Property
Cp,gas 439.46 J/mol×K 743.76 Joback Calculated Property
Cp,gas 451.15 J/mol×K 782.56 Joback Calculated Property
Cp,gas 461.92 J/mol×K 821.36 Joback Calculated Property
Cp,gas 471.77 J/mol×K 860.16 Joback Calculated Property

Similar Compounds

Benzoic acid, 4-(methylthio)-, ethyl ester. Benzoic acid, 4-(isopropylthio)-, isopropyl ester. Benzoic acid, 4-(methylthio)-, 1-methylpropyl ester. Benzoic acid, 4-(methylthio)-, propyl ester. Benzoic acid, 3-(methylthio)-, isopropyl ester. Benzoic acid, 4-(ethylthio)-, ethyl ester. 4-(Methylthio)benzoic acetic anhydride. 4-Mercaptobenzoic acid, S-methyl-, methyl ester. Benzoic acid, 2-(methylthio)-, isopropyl ester. Benzoic acid, 4-(methylthio)-, 2-methylpropyl ester. Benzoic acid, 4-(methylthio)-, butyl ester. 4-(Methylthio)benzoic trifluoroacetic anhydride. Benzoic acid, 4-(methylthio)-, pentyl ester. Benzoic acid, 1-methylethyl ester. Benzoic acid, 4-(methylthio)-, 3-methylbutyl ester.

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

Sources

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