Chemical Properties of 2,3,4-Trifluorobenzoic acid, oct-3-en-2-yl ester

2,3,4-Trifluorobenzoic acid, oct-3-en-2-yl ester

InChI
InChI=1S/C15H17F3O2/c1-3-4-5-6-7-10(2)20-15(19)11-8-9-12(16)14(18)13(11)17/h6-10H,3-5H2,1-2H3/b7-6+
InChI Key
ASZHXOARIHLQJH-VOTSOKGWSA-N
Formula
C15H17F3O2
SMILES
CCCCC=CC(C)OC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
286.29
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Physical Properties

Property Value Unit Source
ΔfusH° 37.77 kJ/mol Joback Calculated Property
logPoct/wat 4.396 Crippen Calculated Property
McVol 206.900 ml/mol McGowan Calculated Property
Inp 1650.90 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 [300.70; 664.82] 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 A2.60630e+01
Coefficient B1.17794e+00
Coefficient C-6.63880e-04
Coefficient D1.24700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 300.70 J/mol×K 273.00 Calculated Property
Cp,gas 365.22 J/mol×K 353.78 Calculated Property
Cp,gas 422.81 J/mol×K 434.56 Calculated Property
Cp,gas 473.86 J/mol×K 515.33 Calculated Property
Cp,gas 518.75 J/mol×K 596.11 Calculated Property
Cp,gas 557.90 J/mol×K 676.89 Calculated Property
Cp,gas 591.68 J/mol×K 757.67 Calculated Property
Cp,gas 620.50 J/mol×K 838.44 Calculated Property
Cp,gas 644.75 J/mol×K 919.22 Calculated Property
Cp,gas 664.82 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Fluorobenzoic acid, oct-3-en-2-yl ester. 3-Fluorobenzoic acid, oct-3-en-2-yl ester. 2,3,4-Trifluorobenzoic acid, undec-2-enyl ester. 2,6-Difluorobenzoic acid, oct-3-en-2-yl ester. 4-Fluorobenzoic acid. oct-3-en-2-yl ester. Pentafluorobenzoic acid, oct-3-en-2-yl ester. 4-Chlorobenzoic acid, oct-3-en-2-yl ester. 2-Fluorobenzoic acid, undec-2-enyl ester. 4-(Trifluoromethyl)benzoic acid, oct-3-en-2-yl ester. 4-Cyanobenzoic acid, oct-3-en-2-yl ester. m-anisic acid, oct-3-en-2-yl ester. p-Toluic acid, oct-3-en-2-yl ester. Isophthalic acid, di(oct-3-en-2-yl) ester. 4-Bromobenzoic acid, oct-3-en-2-yl ester. Isophthalic acid, oct-3-en-2-yl propyl ester.

Find more compounds similar to 2,3,4-Trifluorobenzoic acid, oct-3-en-2-yl ester.

Sources

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