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

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

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InChI
InChI=1S/C15H13FO2S/c1-19-13-8-6-11(7-9-13)15(17)18-10-12-4-2-3-5-14(12)16/h2-9H,10H2,1H3
InChI Key
QAPIEUYRPAFCBN-UHFFFAOYSA-N
Formula
C15H13FO2S
SMILES
CSc1ccc(C(=O)OCc2ccccc2F)cc1
Molecular Weight1
276.33
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Physical Properties

Property Value Unit Source
Δf -114.63 kJ/mol Joback Calculated Property
Δfgas -301.85 kJ/mol Joback Calculated Property
Δfus 31.91 kJ/mol Joback Calculated Property
Δvap 70.02 kJ/mol Joback Calculated Property
log10WS -4.90 Crippen Calculated Property
logPoct/wat 3.905 Crippen Calculated Property
McVol 200.250 ml/mol McGowan Calculated Property
Pc 2480.12 kPa Joback Calculated Property
Inp [2295.00; 2295.00]   Show Hide
Inp 2295.00 NIST
Inp 2295.00 NIST
Tboil 750.26 K Joback Calculated Property
Tc 993.91 K Joback Calculated Property
Tfus 443.84 K Joback Calculated Property
Vc 0.755 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [524.86; 590.13] J/mol×K [750.26; 993.91] Show Hide
Cp,gas 524.86 J/mol×K 750.26 Joback Calculated Property
Cp,gas 538.69 J/mol×K 790.87 Joback Calculated Property
Cp,gas 551.29 J/mol×K 831.48 Joback Calculated Property
Cp,gas 562.70 J/mol×K 872.09 Joback Calculated Property
Cp,gas 572.96 J/mol×K 912.70 Joback Calculated Property
Cp,gas 582.09 J/mol×K 953.30 Joback Calculated Property
Cp,gas 590.13 J/mol×K 993.91 Joback Calculated Property

Similar Compounds

4-(Methylthio)benzoic acid, 2,3,4,5-tetrafluorobenzyl ester. Terephthalic acid, di(2-fluorobenzyl) ester. Benzoic acid, (2-fluorophenyl)methyl ester. 4-(Methylthio)benzoic acid, 2-fluoro-6-(trifluoromethyl)benzyl ester. 3-(Methylthio)benzoic acid, 2,3,4,5-tetrafluorobenzyl ester. 4-Methoxybenzoic acid, 2-fluorobenzyl ester. Terephthalic acid, 2-fluorobenzyl isobutyl ester. Terephthalic acid, di(2,5-difluorobenzyl) ester. 4-(Methylthio)benzoic acid, 2,6-difluoro-«alpha»-methylbenzyl ester. 4-(Methylthio)benzoic acid, 3-chlorobenzyl ester. Terephthalic acid, butyl 2-fluorobenzyl ester. Terephthalic acid, 2,5-difluorobenzyl ethyl ester. Terephthalic acid, di(2,3,5-trifluorobenzyl) ester. Phthalic acid, di(2,3,6-trifluorobenzyl) ester. 4-(Methylthio)benzoic acid, 3-bromobenzyl ester.

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

Sources

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