Chemical Properties of Diethylmalonic acid, butyl 4-fluoro-2-methoxyphenyl ester

Diethylmalonic acid, butyl 4-fluoro-2-methoxyphenyl ester

InChI
InChI=1S/C18H25FO5/c1-5-8-11-23-16(20)18(6-2,7-3)17(21)24-14-10-9-13(19)12-15(14)22-4/h9-10,12H,5-8,11H2,1-4H3
InChI Key
AZMZSPAXYZMXGU-UHFFFAOYSA-N
Formula
C18H25FO5
SMILES
CCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(F)cc1OC
Molecular Weight1
340.39
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Physical Properties

Property Value Unit Source
ΔfusH° 41.23 kJ/mol Joback Calculated Property
logPoct/wat 3.889 Crippen Calculated Property
McVol 263.240 ml/mol McGowan Calculated Property
Inp [2084.00; 2084.00]   Show Hide
Inp 2084.00 NIST
Inp 2084.00 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 [389.99; 866.61] 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 A3.91550e+01
Coefficient B1.48078e+00
Coefficient C-7.40520e-04
Coefficient D8.72000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 389.99 J/mol×K 273.00 Calculated Property
Cp,gas 474.20 J/mol×K 353.78 Calculated Property
Cp,gas 549.95 J/mol×K 434.56 Calculated Property
Cp,gas 617.53 J/mol×K 515.33 Calculated Property
Cp,gas 677.19 J/mol×K 596.11 Calculated Property
Cp,gas 729.23 J/mol×K 676.89 Calculated Property
Cp,gas 773.92 J/mol×K 757.67 Calculated Property
Cp,gas 811.53 J/mol×K 838.44 Calculated Property
Cp,gas 842.33 J/mol×K 919.22 Calculated Property
Cp,gas 866.61 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, 4-fluoro-2-methoxyphenyl pentyl ester. Diethylmalonic acid, 4-fluoro-2-methoxyphenyl propyl ester. Diethylmalonic acid, 4-fluoro-2-methoxyphenyl tetradecyl ester. Diethylmalonic acid, 4-fluoro-2-methoxyphenyl hexyl ester. Diethylmalonic acid, 4-fluoro-2-methoxyphenyl tridecyl ester. Diethylmalonic acid, 4-fluoro-2-methoxyphenyl octyl ester. Diethylmalonic acid, 4-fluoro-2-methoxyphenyl undecyl ester. Diethylmalonic acid, 4-fluoro-2-methoxyphenyl heptyl ester. Diethylmalonic acid, dodecyl 4-fluoro-2-methoxyphenyl ester. Diethylmalonic acid, 4-fluoro-2-methoxyphenyl pentadecyl ester. Diethylmalonic acid, isobutyl 4-fluoro-2-methoxyphenyl ester. Diethylmalonic acid, butyl 3-fluorophenyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl butyl ester. Diethylmalonic acid, butyl 2-fluorophenyl ester. Diethylmalonic acid, butyl 2-isopropoxyphenyl ester.

Find more compounds similar to Diethylmalonic acid, butyl 4-fluoro-2-methoxyphenyl ester.

Sources

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