Chemical Properties of 3-(Methylthio)benzoic acid, 2,3,4,5-tetrafluorobenzyl ester

3-(Methylthio)benzoic acid, 2,3,4,5-tetrafluorobenzyl ester

InChI
InChI=1S/C15H10F4O2S/c1-22-10-4-2-3-8(5-10)15(20)21-7-9-6-11(16)13(18)14(19)12(9)17/h2-6H,7H2,1H3
InChI Key
DPHMTXCFSOKVEP-UHFFFAOYSA-N
Formula
C15H10F4O2S
SMILES
CSc1cccc(C(=O)OCc2cc(F)c(F)c(F)c2F)c1
Molecular Weight1
330.30
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Physical Properties

Property Value Unit Source
ΔfusH° 41.56 kJ/mol Joback Calculated Property
logPoct/wat 4.322 Crippen Calculated Property
McVol 205.560 ml/mol McGowan Calculated Property
Inp [2124.00; 2124.00]   Show Hide
Inp 2124.00 NIST
Inp 2124.00 NIST
Tboil 607.49 K Relay (1.0) Calculated Property
Tfus 311.01 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [540.94; 597.40] J/mol×K [745.14; 961.24] Show Hide
Cp,gas 540.94 J/mol×K 745.14 Joback Calculated Property
Cp,gas 552.76 J/mol×K 781.16 Joback Calculated Property
Cp,gas 563.61 J/mol×K 817.17 Joback Calculated Property
Cp,gas 573.49 J/mol×K 853.19 Joback Calculated Property
Cp,gas 582.40 J/mol×K 889.20 Joback Calculated Property
Cp,gas 590.37 J/mol×K 925.22 Joback Calculated Property
Cp,gas 597.40 J/mol×K 961.24 Joback Calculated Property

Similar Compounds

4-(Methylthio)benzoic acid, 2,3,4,5-tetrafluorobenzyl ester. Benzoic acid, (2,3,4,5-tetrafluorophenyl)methyl ester. Phthalic acid, di(2,3,4,5-tetrafluorobenzyl) ester. Phthalic acid, ethyl 2,3,4,5-tetrafluorobenzyl ester. 4-(Methylthio)benzoic acid, 2-fluorobenzyl ester. Phthalic acid, isobutyl 2,3,4,5-tetrafluorobenzyl ester. 2-Methoxybenzoic acid, 2,3,4,5-tetrafluorobenzyl ester. Terephthalic acid, isobutyl 2,3,5-trifluorobenzyl ester. Phthalic acid, propyl 2,3,4,5-tetrafluorobenzyl ester. Terephthalic acid, ethyl 2,3,5-trifluorobenzyl ester. Terephthalic acid, di(2,3,5-trifluorobenzyl) ester. Phthalic acid, butyl 2,3,4,5-tetrafluorobenzyl ester. Terephthalic acid, propyl 2,3,5-trifluorobenzyl ester. Terephthalic acid, butyl 2,3,5-trifluorobenzyl ester. 2-(Methylthio)benzoic acid, 2-fluoro-6-(trifluoromethyl)benzyl ester.

Find more compounds similar to 3-(Methylthio)benzoic acid, 2,3,4,5-tetrafluorobenzyl ester.

Sources

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