Chemical Properties of 2-(Methylthio)benzoic acid, 2-propylpentyl ester

2-(Methylthio)benzoic acid, 2-propylpentyl ester

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InChI
InChI=1S/C16H24O2S/c1-4-8-13(9-5-2)12-18-16(17)14-10-6-7-11-15(14)19-3/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3
InChI Key
DXBSTOAFUPWBMU-UHFFFAOYSA-N
Formula
C16H24O2S
SMILES
CCCC(CCC)COC(=O)c1ccccc1SC
Molecular Weight1
280.43
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Physical Properties

Property Value Unit Source
Δf -16.62 kJ/mol Joback Calculated Property
Δfgas -356.72 kJ/mol Joback Calculated Property
Δfus 34.24 kJ/mol Joback Calculated Property
Δvap 69.73 kJ/mol Joback Calculated Property
log10WS -5.15 Crippen Calculated Property
logPoct/wat 4.782 Crippen Calculated Property
McVol 236.330 ml/mol McGowan Calculated Property
Pc 1784.86 kPa Joback Calculated Property
Inp 2109.00 NIST
Tboil 741.77 K Joback Calculated Property
Tc 955.49 K Joback Calculated Property
Tfus 400.58 K Joback Calculated Property
Vc 0.895 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [661.26; 745.09] J/mol×K [741.77; 955.49] Show Hide
Cp,gas 661.26 J/mol×K 741.77 Joback Calculated Property
Cp,gas 677.93 J/mol×K 777.39 Joback Calculated Property
Cp,gas 693.50 J/mol×K 813.01 Joback Calculated Property
Cp,gas 707.97 J/mol×K 848.63 Joback Calculated Property
Cp,gas 721.38 J/mol×K 884.25 Joback Calculated Property
Cp,gas 733.74 J/mol×K 919.87 Joback Calculated Property
Cp,gas 745.09 J/mol×K 955.49 Joback Calculated Property

Similar Compounds

Benzoic acid, 2-(methylthio)-, 2-methylbutyl ester. 3-(Methylthio)benzoic acid, 2-propylpentyl ester. Benzoic acid, 2-(methylthio)-, pentyl ester. 4-(Methylthio)benzoic acid, 2-propylpentyl ester. Benzoic acid, 2-(pentylthio)-, pentyl ester. Benzoic acid, 2-(methylthio)-, 3-methylbutyl ester. Benzoic acid, 2-(2-methylbutyl)thio-, 2-methylbutyl ester. Benzoic acid, 2-(methylthio)-, butyl ester. Benzoic acid, 2-(3-methylbutyl)thio-, 3-methylbutyl ester. Benzoic acid, 2-(butylthio)-, butyl ester. Benzoic acid, 2-(methylthio)-, 2-methylpropyl ester. Benzoic acid, 3-(methylthio)-, 2-methylbutyl ester. 2-Ethylhexyl trimethylsilyl phthalate. Benzoic acid, 2-(2-methylbutyl)thio-. Benzoic acid, 3-(pentylthio)-, pentyl ester.

Find more compounds similar to 2-(Methylthio)benzoic acid, 2-propylpentyl ester.

Sources

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