Chemical Properties of Benzoic acid, 4-(methylthio)-, 2-methylbutyl ester

Benzoic acid, 4-(methylthio)-, 2-methylbutyl ester

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InChI
InChI=1S/C13H18O2S/c1-4-10(2)9-15-13(14)11-5-7-12(16-3)8-6-11/h5-8,10H,4,9H2,1-3H3
InChI Key
BKSZPSRDPXTMPS-UHFFFAOYSA-N
Formula
C13H18O2S
SMILES
CCC(C)COC(=O)c1ccc(SC)cc1
Molecular Weight1
238.35
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Physical Properties

Property Value Unit Source
Δf -41.88 kJ/mol Joback Calculated Property
Δfgas -294.80 kJ/mol Joback Calculated Property
Δfus 26.47 kJ/mol Joback Calculated Property
Δvap 63.06 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 2313.61 kPa Joback Calculated Property
Inp [1932.00; 1932.00]   Show Hide
Inp 1932.00 NIST
Inp 1932.00 NIST
Tboil 673.13 K Joback Calculated Property
Tc 897.16 K Joback Calculated Property
Tfus 366.77 K Joback Calculated Property
Vc 0.728 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [499.83; 578.59] J/mol×K [673.13; 897.16] Show Hide
Cp,gas 499.83 J/mol×K 673.13 Joback Calculated Property
Cp,gas 515.48 J/mol×K 710.47 Joback Calculated Property
Cp,gas 530.10 J/mol×K 747.81 Joback Calculated Property
Cp,gas 543.70 J/mol×K 785.14 Joback Calculated Property
Cp,gas 556.31 J/mol×K 822.48 Joback Calculated Property
Cp,gas 567.93 J/mol×K 859.82 Joback Calculated Property
Cp,gas 578.59 J/mol×K 897.16 Joback Calculated Property

Similar Compounds

4-(Methylthio)benzoic acid, 2-propylpentyl ester. Benzoic acid, 3-(methylthio)-, 2-methylbutyl ester. Benzoic acid, 4-(methylthio)-, 3-methylbutyl ester. Benzoic acid, 4-(methylthio)-, 2-methylpropyl ester. Benzoic acid, 4-(methylthio)-, butyl ester. 2-Methylbutyl benzoate. Benzoic acid, 2-(methylthio)-, 2-methylbutyl ester. Benzoic acid, 4-(2-methylbutyl)thio-, 2-methylbutyl ester. Benzoic acid, 4-(methylthio)-, pentyl ester. Isophthalic acid, isobutyl 2-methylbutyl ester. Isophthalic acid, ethyl 2-methylbutyl ester. Terephthalic acid, 2-ethylbutyl isobutyl ester. 3-(Methylthio)benzoic acid, 2-propylpentyl ester. Benzoic acid, 4-hydroxy-, 2-methylbutyl ester. Benzoic acid, 3-(methylthio)-, 3-methylbutyl ester.

Find more compounds similar to Benzoic acid, 4-(methylthio)-, 2-methylbutyl ester.

Sources

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