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

3-Methoxy-2,4,5-trifluorobenzoic acid, 3-methylbutyl ester

InChI
InChI=1S/C13H15F3O3/c1-7(2)4-5-19-13(17)8-6-9(14)11(16)12(18-3)10(8)15/h6-7H,4-5H2,1-3H3
InChI Key
JYPKDBYMJHSICM-UHFFFAOYSA-N
Formula
C13H15F3O3
SMILES
COc1c(F)c(F)cc(C(=O)OCCC(C)C)c1F
Molecular Weight1
276.25
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Physical Properties

Property Value Unit Source
ΔfusH° 31.60 kJ/mol Joback Calculated Property
log10WS -4.82 Relay (1.0) Calculated Property
logPoct/wat 3.315 Crippen Calculated Property
McVol 188.890 ml/mol McGowan Calculated Property
Inp 1606.00 NIST
Tboil 538.26 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 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 [492.40; 562.07] J/mol×K [639.52; 823.86] Show Hide
Cp,gas 492.40 J/mol×K 639.52 Joback Calculated Property
Cp,gas 505.56 J/mol×K 670.24 Joback Calculated Property
Cp,gas 518.11 J/mol×K 700.97 Joback Calculated Property
Cp,gas 530.04 J/mol×K 731.69 Joback Calculated Property
Cp,gas 541.35 J/mol×K 762.42 Joback Calculated Property
Cp,gas 552.03 J/mol×K 793.14 Joback Calculated Property
Cp,gas 562.07 J/mol×K 823.86 Joback Calculated Property

Similar Compounds

3-Methoxy-2,4,5-trifluorobenzoic acid, butyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, isohexyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, pentyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, heptyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, hexyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2-methylpentyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, eicosyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, hexadecyl 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, tridecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, dodecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, nonadecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, octyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, heptadecyl ester.

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

Sources

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