Chemical Properties of 4-(Methylthio)benzoic acid, 2-propylpentyl ester

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

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InChI
InChI=1S/C16H24O2S/c1-4-6-13(7-5-2)12-18-16(17)14-8-10-15(19-3)11-9-14/h8-11,13H,4-7,12H2,1-3H3
InChI Key
MAZLAMSVWYZHTB-UHFFFAOYSA-N
Formula
C16H24O2S
SMILES
CCCC(CCC)COC(=O)c1ccc(SC)cc1
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 [2185.00; 2185.00]   Show Hide
Inp 2185.00 NIST
Inp 2185.00 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

3-(Methylthio)benzoic acid, 2-propylpentyl ester. Benzoic acid, 4-(methylthio)-, 2-methylbutyl ester. Benzoic acid, 2-ethylhexyl ester. 2-(Methylthio)benzoic acid, 2-propylpentyl ester. Benzoic acid, cyclohexylmethyl ester. Benzoic acid, 4-(methylthio)-, pentyl ester. Benzoic acid 2-methylpentyl ester. 1,3-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester. Terephthalic acid, 2-ethylbutyl nonyl ester. Terephthalic acid, 2-ethylbutyl octyl ester. Terephthalic acid, 2-ethylbutyl pentadecyl ester. Terephthalic acid, 2-ethylbutyl tridecyl ester. Terephthalic acid, 2-ethylbutyl tetradecyl ester. Terephthalic acid, dodecyl 2-ethylbutyl ester. Terephthalic acid, 2-ethylbutyl heptadecyl ester.

Find more compounds similar to 4-(Methylthio)benzoic acid, 2-propylpentyl ester.

Sources

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