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

3-Fluoro-4-trifluoromethylbenzoic acid, 4-methoxy-2-methylbutyl ester

InChI
InChI=1S/C14H16F4O3/c1-9(5-6-20-2)8-21-13(19)10-3-4-11(12(15)7-10)14(16,17)18/h3-4,7,9H,5-6,8H2,1-2H3
InChI Key
XVCPKRAUPVVGTF-UHFFFAOYSA-N
Formula
C14H16F4O3
SMILES
COCCC(C)COC(=O)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
308.27
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Physical Properties

Property Value Unit Source
ΔfusH° 32.22 kJ/mol Joback Calculated Property
logPoct/wat 3.674 Crippen Calculated Property
McVol 204.750 ml/mol McGowan Calculated Property
Inp [1608.00; 1608.00]   Show Hide
Inp 1608.00 NIST
Inp 1608.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [313.08; 673.89] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.39730e+01
Coefficient B1.19684e+00
Coefficient C-6.69920e-04
Coefficient D1.13000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 313.08 J/mol×K 273.00 Calculated Property
Cp,gas 378.55 J/mol×K 353.78 Calculated Property
Cp,gas 436.83 J/mol×K 434.56 Calculated Property
Cp,gas 488.30 J/mol×K 515.33 Calculated Property
Cp,gas 533.30 J/mol×K 596.11 Calculated Property
Cp,gas 572.20 J/mol×K 676.89 Calculated Property
Cp,gas 605.35 J/mol×K 757.67 Calculated Property
Cp,gas 633.11 J/mol×K 838.44 Calculated Property
Cp,gas 655.84 J/mol×K 919.22 Calculated Property
Cp,gas 673.89 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Fluoro-4-trifluoromethylbenzoic acid, 2-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylbutyl ester. 3-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methylpentyl ester. 4-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-ethylhexyl ester. 3-Trifluoromethylbenzoic acid, 4-methoxy-2-methylbutyl ester. 2,4-Difluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, cyclohexylmethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylbutyl-2 ester. 3-Chloro-2-fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 4-Methylbenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-pentyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 2-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 6-chlorohexyl ester.

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

Sources

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