Chemical Properties of 3-(Methylthio)benzoic acid, 3-bromobenzyl ester

3-(Methylthio)benzoic acid, 3-bromobenzyl ester

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InChI
InChI=1S/C15H13BrO2S/c1-19-14-7-3-5-12(9-14)15(17)18-10-11-4-2-6-13(16)8-11/h2-9H,10H2,1H3
InChI Key
BCIQRQOVGVBAHB-UHFFFAOYSA-N
Formula
C15H13BrO2S
SMILES
CSc1cccc(C(=O)OCc2cccc(Br)c2)c1
Molecular Weight1
337.23
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Physical Properties

Property Value Unit Source
Δf 94.50 kJ/mol Joback Calculated Property
Δfgas -79.41 kJ/mol Joback Calculated Property
Δfus 34.11 kJ/mol Joback Calculated Property
Δvap 77.27 kJ/mol Joback Calculated Property
log10WS -5.73 Crippen Calculated Property
logPoct/wat 4.528 Crippen Calculated Property
McVol 215.980 ml/mol McGowan Calculated Property
Pc 2787.66 kPa Joback Calculated Property
Inp [2553.00; 2553.00]   Show Hide
Inp 2553.00 NIST
Inp 2553.00 NIST
Tboil 817.15 K Joback Calculated Property
Tc 1080.96 K Joback Calculated Property
Tfus 503.05 K Joback Calculated Property
Vc 0.799 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [549.48; 606.21] J/mol×K [817.15; 1080.96] Show Hide
Cp,gas 549.48 J/mol×K 817.15 Joback Calculated Property
Cp,gas 561.98 J/mol×K 861.12 Joback Calculated Property
Cp,gas 573.19 J/mol×K 905.09 Joback Calculated Property
Cp,gas 583.16 J/mol×K 949.06 Joback Calculated Property
Cp,gas 591.95 J/mol×K 993.03 Joback Calculated Property
Cp,gas 599.62 J/mol×K 1037.00 Joback Calculated Property
Cp,gas 606.21 J/mol×K 1080.96 Joback Calculated Property

Similar Compounds

2-(Methylthio)benzoic acid, 3-bromobenzyl ester. 4-(Methylthio)benzoic acid, 3-bromobenzyl ester. 3-(Methylthio)benzoic acid, 3-chlorobenzyl ester. Benzoic acid, (3-bromophenyl)methyl ester. 3-(Methylthio)benzoic acid, 2,3,4,5-tetrafluorobenzyl ester. Terephthalic acid, 3-bromobenzyl ethyl ester. 2-(Methylthio)benzoic acid, 3-iodobenzyl ester. Terephthalic acid, 3-bromobenzyl propyl ester. 2-(Methylthio)benzoic acid, 2-(trifluoromethyl)benzyl ester. Terephthalic acid, 3-bromobenzyl isobutyl ester. Terephthalic acid, 3-bromobenzyl butyl ester. 2-(Methylthio)benzoic acid, 3-chlorobenzyl ester. 3-Methoxybenzoic acid, 3-bromobenzyl ester. Terephthalic acid, 3-bromobenzyl pentyl ester. 4-Methoxybenzoic acid, 3-bromobenzyl ester.

Find more compounds similar to 3-(Methylthio)benzoic acid, 3-bromobenzyl ester.

Sources

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