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

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

InChI
InChI=1S/C14H16F4O2/c1-3-4-9(2)8-20-13(19)10-5-6-11(12(15)7-10)14(16,17)18/h5-7,9H,3-4,8H2,1-2H3
InChI Key
RSKROLMQYWFZNF-UHFFFAOYSA-N
Formula
C14H16F4O2
SMILES
CCCC(C)COC(=O)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
292.27
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Physical Properties

Property Value Unit Source
Δfus 31.03 kJ/mol Joback Calculated Property
logPoct/wat 4.438 Crippen Calculated Property
McVol 198.880 ml/mol McGowan Calculated Property
Inp [1494.00; 1494.00]   Show Hide
Inp 1494.00 NIST
Inp 1494.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [523.71; 598.94] J/mol×K [608.19; 789.04] Show Hide
Cp,gas 523.71 J/mol×K 608.19 Joback Calculated Property
Cp,gas 538.24 J/mol×K 638.33 Joback Calculated Property
Cp,gas 551.94 J/mol×K 668.47 Joback Calculated Property
Cp,gas 564.83 J/mol×K 698.62 Joback Calculated Property
Cp,gas 576.94 J/mol×K 728.76 Joback Calculated Property
Cp,gas 588.30 J/mol×K 758.90 Joback Calculated Property
Cp,gas 598.94 J/mol×K 789.04 Joback Calculated Property

Similar Compounds

3-Fluoro-4-trifluoromethylbenzoic acid, 2-ethylhexyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, cyclohexylmethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methylbutyl ester. 3-Fluorobenzoic acid, 2-methylpentyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylbutyl ester. 3,4-Difluorobenzoic acid, 2-ethylhexyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 2-ethylhexyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, 2-ethylhexyl ester. 2-Fluorobenzoic acid, 2-methylpentyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, cyclohexylmethyl ester. 3,4-Difluorobenzoic acid, cyclohexylmethyl ester. 4-Fluoro-3-trifluoromethylbenzoic acid, isohexyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, cyclohexylmethyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, isohexyl ester.

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

Sources

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