Chemical Properties of 2,4,5-Trifluoro-3-methoxybenzoic acid, 2-ethylhexyl ester

2,4,5-Trifluoro-3-methoxybenzoic acid, 2-ethylhexyl ester

InChI
InChI=1S/C16H21F3O3/c1-4-6-7-10(5-2)9-22-16(20)11-8-12(17)14(19)15(21-3)13(11)18/h8,10H,4-7,9H2,1-3H3
InChI Key
MEWBYBUKMFLKMO-UHFFFAOYSA-N
Formula
C16H21F3O3
SMILES
CCCCC(CC)COC(=O)c1cc(F)c(F)c(OC)c1F
Molecular Weight1
318.33
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Physical Properties

Property Value Unit Source
ΔfusH° 40.95 kJ/mol Joback Calculated Property
log10WS -5.88 Relay (1.0) Calculated Property
logPoct/wat 4.486 Crippen Calculated Property
McVol 231.160 ml/mol McGowan Calculated Property
Pc 1454.57 kPa Joback Calculated Property
Inp [1865.00; 1865.00]   Show Hide
Inp 1865.00 NIST
Inp 1865.00 NIST
Tboil 576.20 K Relay (1.0) Calculated Property
Tfus 253.29 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [353.87; 762.46] 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 A7.91350e+01
Coefficient B1.13026e+00
Coefficient C-4.56440e-04
Coefficient D9.50000e-09
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 353.87 J/mol×K 273.00 Calculated Property
Cp,gas 422.29 J/mol×K 353.78 Calculated Property
Cp,gas 484.88 J/mol×K 434.56 Calculated Property
Cp,gas 541.68 J/mol×K 515.33 Calculated Property
Cp,gas 592.71 J/mol×K 596.11 Calculated Property
Cp,gas 638.01 J/mol×K 676.89 Calculated Property
Cp,gas 677.60 J/mol×K 757.67 Calculated Property
Cp,gas 711.52 J/mol×K 838.44 Calculated Property
Cp,gas 739.80 J/mol×K 919.22 Calculated Property
Cp,gas 762.45 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,4,5-Trifluoro-3-methoxybenzoic acid, cyclohexylmethyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2-methylpentyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, isohexyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, heptyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, octadecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, tridecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, decyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, eicosyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, nonyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, tetradecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, dodecyl 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, undecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, octyl ester.

Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzoic acid, 2-ethylhexyl ester.

Sources

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