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

3-Trifluoromethylbenzoic acid, 4-methoxy-2-methylbutyl ester

InChI
InChI=1S/C14H17F3O3/c1-10(6-7-19-2)9-20-13(18)11-4-3-5-12(8-11)14(15,16)17/h3-5,8,10H,6-7,9H2,1-2H3
InChI Key
OSKUTSBEHBXUIH-UHFFFAOYSA-N
Formula
C14H17F3O3
SMILES
COCCC(C)COC(=O)c1cccc(C(F)(F)F)c1
Molecular Weight1
290.28
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Physical Properties

Property Value Unit Source
ΔfusH° 29.53 kJ/mol Joback Calculated Property
logPoct/wat 3.535 Crippen Calculated Property
McVol 202.980 ml/mol McGowan Calculated Property
Inp 1658.00 NIST
Tboil 560.62 K Relay (1.0) Calculated Property
Tfus 280.85 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [302.33; 669.86] 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 A1.35830e+01
Coefficient B1.24454e+00
Coefficient C-7.20560e-04
Coefficient D1.32300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 302.33 J/mol×K 273.00 Calculated Property
Cp,gas 369.55 J/mol×K 353.78 Calculated Property
Cp,gas 429.19 J/mol×K 434.56 Calculated Property
Cp,gas 481.68 J/mol×K 515.33 Calculated Property
Cp,gas 527.44 J/mol×K 596.11 Calculated Property
Cp,gas 566.88 J/mol×K 676.89 Calculated Property
Cp,gas 600.43 J/mol×K 757.67 Calculated Property
Cp,gas 628.49 J/mol×K 838.44 Calculated Property
Cp,gas 651.50 J/mol×K 919.22 Calculated Property
Cp,gas 669.86 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzoic acid, 3-methyl-, 4-methoxy-2-methylbutyl ester. 3-Trifluoromethylbenzoic acid, 3-methylbutyl ester. 3-Trifluoromethylbenzoic acid, 2-methylpentyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-methoxy-2-methylbutyl ester. 4-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 4-Methylbenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. Isophthalic acid, butyl 2-methylbutyl ester. Isophthalic acid, 2-methylbutyl propyl ester. 1-Naphthoic acid, 4-methoxy-2-methylbutyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-methylbutyl ester. 4-Chlorobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Bromobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2-methylbutyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 2-methylbutyl ester.

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

Sources

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