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° 39.37 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 1501.15 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [650.90; 728.25] J/mol×K [708.16; 889.80] Show Hide
Cp,gas 650.90 J/mol×K 708.16 Joback Calculated Property
Cp,gas 665.69 J/mol×K 738.43 Joback Calculated Property
Cp,gas 679.72 J/mol×K 768.71 Joback Calculated Property
Cp,gas 692.99 J/mol×K 798.98 Joback Calculated Property
Cp,gas 705.51 J/mol×K 829.25 Joback Calculated Property
Cp,gas 717.26 J/mol×K 859.52 Joback Calculated Property
Cp,gas 728.25 J/mol×K 889.80 Joback 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, undecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, nonadecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, heptadecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, decyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, tetradecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, hexadecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, pentadecyl 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, tridecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, nonyl ester.

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

Sources

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