Chemical Properties of 3-Methoxy-2,4,5-trifluorobenzoic acid, 8-chlorooctyl ester

3-Methoxy-2,4,5-trifluorobenzoic acid, 8-chlorooctyl ester

InChI
InChI=1S/C16H20ClF3O3/c1-22-15-13(19)11(10-12(18)14(15)20)16(21)23-9-7-5-3-2-4-6-8-17/h10H,2-9H2,1H3
InChI Key
WARDNNXIUFMWSE-UHFFFAOYSA-N
Formula
C16H20ClF3O3
SMILES
COc1c(F)c(F)cc(C(=O)OCCCCCCCCCl)c1F
Molecular Weight1
352.78
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Physical Properties

Property Value Unit Source
ΔfusH° 48.67 kJ/mol Joback Calculated Property
logPoct/wat 4.849 Crippen Calculated Property
McVol 243.400 ml/mol McGowan Calculated Property
Inp [2259.00; 2259.00]   Show Hide
Inp 2259.00 NIST
Inp 2259.00 NIST
Tboil 595.76 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [367.59; 770.19] 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 A9.37080e+01
Coefficient B1.13112e+00
Coefficient C-4.73640e-04
Coefficient D1.90000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 367.59 J/mol×K 273.00 Calculated Property
Cp,gas 435.43 J/mol×K 353.78 Calculated Property
Cp,gas 497.36 J/mol×K 434.56 Calculated Property
Cp,gas 553.43 J/mol×K 515.33 Calculated Property
Cp,gas 603.70 J/mol×K 596.11 Calculated Property
Cp,gas 648.23 J/mol×K 676.89 Calculated Property
Cp,gas 687.09 J/mol×K 757.67 Calculated Property
Cp,gas 720.32 J/mol×K 838.44 Calculated Property
Cp,gas 748.00 J/mol×K 919.22 Calculated Property
Cp,gas 770.19 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Methoxy-2,4,5-trifluorobenzoic acid, nonadecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, nonyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, pentadecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, octyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, dodecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, octadecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, eicosyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, undecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, tridecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, tetradecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, heptadecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, hexadecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, decyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, heptyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, hexyl ester.

Find more compounds similar to 3-Methoxy-2,4,5-trifluorobenzoic acid, 8-chlorooctyl ester.

Sources

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