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

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

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InChI
InChI=1S/C13H18O2S/c1-13(2,3)9-15-12(14)10-7-5-6-8-11(10)16-4/h5-8H,9H2,1-4H3
InChI Key
LSOOISSPNCXVFI-UHFFFAOYSA-N
Formula
C13H18O2S
SMILES
CSc1ccccc1C(=O)OCC(C)(C)C
Molecular Weight1
238.35
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Physical Properties

Property Value Unit Source
Δf -36.60 kJ/mol Joback Calculated Property
Δfgas -298.27 kJ/mol Joback Calculated Property
Δfus 22.58 kJ/mol Joback Calculated Property
Δvap 62.15 kJ/mol Joback Calculated Property
log10WS -3.89 Crippen Calculated Property
logPoct/wat 3.611 Crippen Calculated Property
McVol 194.060 ml/mol McGowan Calculated Property
Pc 2338.29 kPa Joback Calculated Property
Inp 1802.00 NIST
Tboil 670.34 K Joback Calculated Property
Tc 902.69 K Joback Calculated Property
Tfus 384.19 K Joback Calculated Property
Vc 0.723 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [502.26; 581.42] J/mol×K [670.34; 902.69] Show Hide
Cp,gas 502.26 J/mol×K 670.34 Joback Calculated Property
Cp,gas 518.19 J/mol×K 709.06 Joback Calculated Property
Cp,gas 532.97 J/mol×K 747.79 Joback Calculated Property
Cp,gas 546.64 J/mol×K 786.51 Joback Calculated Property
Cp,gas 559.24 J/mol×K 825.24 Joback Calculated Property
Cp,gas 570.82 J/mol×K 863.96 Joback Calculated Property
Cp,gas 581.42 J/mol×K 902.69 Joback Calculated Property

Similar Compounds

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

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

Sources

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