Chemical Properties of Benzoic acid, 3-(methylthio)-, 1-methylpropyl ester

Benzoic acid, 3-(methylthio)-, 1-methylpropyl ester

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InChI
InChI=1S/C12H16O2S/c1-4-9(2)14-12(13)10-6-5-7-11(8-10)15-3/h5-9H,4H2,1-3H3
InChI Key
LAPCIJOSGBARRK-UHFFFAOYSA-N
Formula
C12H16O2S
SMILES
CCC(C)OC(=O)c1cccc(SC)c1
Molecular Weight1
224.32
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Physical Properties

Property Value Unit Source
Δf -50.30 kJ/mol Joback Calculated Property
Δfgas -274.16 kJ/mol Joback Calculated Property
Δfus 23.88 kJ/mol Joback Calculated Property
Δvap 60.83 kJ/mol Joback Calculated Property
log10WS -3.83 Crippen Calculated Property
logPoct/wat 3.364 Crippen Calculated Property
McVol 179.970 ml/mol McGowan Calculated Property
Pc 2543.05 kPa Joback Calculated Property
Inp 1733.00 NIST
Tboil 650.25 K Joback Calculated Property
Tc 878.49 K Joback Calculated Property
Tfus 355.50 K Joback Calculated Property
Vc 0.671 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [448.59; 524.75] J/mol×K [650.25; 878.49] Show Hide
Cp,gas 448.59 J/mol×K 650.25 Joback Calculated Property
Cp,gas 463.72 J/mol×K 688.29 Joback Calculated Property
Cp,gas 477.86 J/mol×K 726.33 Joback Calculated Property
Cp,gas 491.02 J/mol×K 764.37 Joback Calculated Property
Cp,gas 503.21 J/mol×K 802.41 Joback Calculated Property
Cp,gas 514.45 J/mol×K 840.45 Joback Calculated Property
Cp,gas 524.75 J/mol×K 878.49 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Benzoic acid, 3-(methylthio)-, 1-methylpropyl ester.

Sources

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