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

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

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InChI
InChI=1S/C12H16O2S/c1-3-4-9-14-12(13)10-7-5-6-8-11(10)15-2/h5-8H,3-4,9H2,1-2H3
InChI Key
RINNSSNYBDKSRH-UHFFFAOYSA-N
Formula
C12H16O2S
SMILES
CCCCOC(=O)c1ccccc1SC
Molecular Weight1
224.32
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Physical Properties

Property Value Unit Source
Δf -47.86 kJ/mol Joback Calculated Property
Δfgas -268.88 kJ/mol Joback Calculated Property
Δfus 27.41 kJ/mol Joback Calculated Property
Δvap 61.22 kJ/mol Joback Calculated Property
log10WS -3.71 Crippen Calculated Property
logPoct/wat 3.365 Crippen Calculated Property
McVol 179.970 ml/mol McGowan Calculated Property
Pc 2522.65 kPa Joback Calculated Property
Inp [1814.00; 1814.00]   Show Hide
Inp 1814.00 NIST
Inp 1814.00 NIST
Tboil 650.69 K Joback Calculated Property
Tc 874.38 K Joback Calculated Property
Tfus 370.50 K Joback Calculated Property
Vc 0.677 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [448.09; 522.97] J/mol×K [650.69; 874.38] Show Hide
Cp,gas 448.09 J/mol×K 650.69 Joback Calculated Property
Cp,gas 462.89 J/mol×K 687.97 Joback Calculated Property
Cp,gas 476.74 J/mol×K 725.25 Joback Calculated Property
Cp,gas 489.66 J/mol×K 762.53 Joback Calculated Property
Cp,gas 501.66 J/mol×K 799.81 Joback Calculated Property
Cp,gas 512.76 J/mol×K 837.10 Joback Calculated Property
Cp,gas 522.97 J/mol×K 874.38 Joback Calculated Property

Similar Compounds

Benzoic acid, 2-(methylthio)-, pentyl ester. Benzoic acid, 2-(methylthio)-, 3-methylbutyl ester. Benzoic acid, 2-(methylthio)-, propyl ester. Benzoic acid, 2-(methylthio)-, 2-methylbutyl ester. Benzoic acid, 2-(methylthio)-, 1-methylpropyl ester. Benzoic acid, 2-(methylthio)-, 2-methylpropyl ester. Benzoic acid, 2-(butylthio)-, butyl ester. Benzoic acid, 3-(methylthio)-, butyl ester. Benzoic acid, 2-(butylthio)-. 2-(Methylthio)benzoic acid, 2-propylpentyl ester. Benzoic acid, 2-(methylthio)-, neopentyl ester. Benzoic acid, 2-(methylthio)-, ethyl ester. Benzoic acid, 2-(pentylthio)-, pentyl ester. Benzoic acid, 2-(propylthio)-, propyl ester. Benzoic acid, 3-(methylthio)-, pentyl ester.

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

Sources

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