Chemical Properties of 3-Fluoro-4-trifluoromethylbenzoic acid, 2-propylphenyl ester

3-Fluoro-4-trifluoromethylbenzoic acid, 2-propylphenyl ester

InChI
InChI=1S/C17H14F4O2/c1-2-5-11-6-3-4-7-15(11)23-16(22)12-8-9-13(14(18)10-12)17(19,20)21/h3-4,6-10H,2,5H2,1H3
InChI Key
VMRCDXTZDZZKLQ-UHFFFAOYSA-N
Formula
C17H14F4O2
SMILES
CCCc1ccccc1OC(=O)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
326.29
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Physical Properties

Property Value Unit Source
Δfus 35.98 kJ/mol Joback Calculated Property
logPoct/wat 5.016 Crippen Calculated Property
McVol 217.390 ml/mol McGowan Calculated Property
Inp 1811.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [598.86; 668.15] J/mol×K [708.93; 913.81] Show Hide
Cp,gas 598.86 J/mol×K 708.93 Joback Calculated Property
Cp,gas 612.86 J/mol×K 743.08 Joback Calculated Property
Cp,gas 625.82 J/mol×K 777.22 Joback Calculated Property
Cp,gas 637.78 J/mol×K 811.37 Joback Calculated Property
Cp,gas 648.79 J/mol×K 845.51 Joback Calculated Property
Cp,gas 658.89 J/mol×K 879.66 Joback Calculated Property
Cp,gas 668.15 J/mol×K 913.81 Joback Calculated Property

Similar Compounds

2-Fluorobenzoic acid, 2-propylphenyl ester. 2,4-Difluorobenzoic acid, 2-propylphenyl ester. 3-Trifluoromethylbenzoic acid, 2-propylphenyl ester. 4-Methylbenzoic acid, 2-propylphenyl ester. 3-Chloro-2-fluorobenzoic acid, 2-propylphenyl ester. Isophthalic acid, propyl 2-propylphenyl ester. 4-Butylbenzoic acid, 2-propylphenyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2-propylphenyl ester. 2-Trifluoromethylbenzoic acid, 2-propylphenyl ester. Benzoic acid, 2-propylphenyl ester. 1-Naphthoic acid, 2-propylphenyl ester. Benzoic acid, 3-methyl-, 2-propylphenyl ester. Isophthalic acid, ethyl 2-propylphenyl ester. Isophthalic acid, isobutyl 2-propylphenyl ester. Isophthalic acid, di(2-propylphenyl) ester.

Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, 2-propylphenyl ester.

Sources

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