Chemical Properties of Diethylmalonic acid, 3,4-difluorobenzyl propyl ester

Diethylmalonic acid, 3,4-difluorobenzyl propyl ester

InChI
InChI=1S/C17H22F2O4/c1-4-9-22-15(20)17(5-2,6-3)16(21)23-11-12-7-8-13(18)14(19)10-12/h7-8,10H,4-6,9,11H2,1-3H3
InChI Key
GRWXCDAWROEIEP-UHFFFAOYSA-N
Formula
C17H22F2O4
SMILES
CCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(F)c(F)c1
Molecular Weight1
328.35
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Physical Properties

Property Value Unit Source
ΔfusH° 40.53 kJ/mol Joback Calculated Property
logPoct/wat 3.768 Crippen Calculated Property
McVol 245.050 ml/mol McGowan Calculated Property
Inp [1876.00; 1876.00]   Show Hide
Inp 1876.00 NIST
Inp 1876.00 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [709.65; 784.37] J/mol×K [736.95; 928.89] Show Hide
Cp,gas 709.65 J/mol×K 736.95 Joback Calculated Property
Cp,gas 724.58 J/mol×K 768.94 Joback Calculated Property
Cp,gas 738.48 J/mol×K 800.93 Joback Calculated Property
Cp,gas 751.38 J/mol×K 832.92 Joback Calculated Property
Cp,gas 763.31 J/mol×K 864.91 Joback Calculated Property
Cp,gas 774.30 J/mol×K 896.90 Joback Calculated Property
Cp,gas 784.37 J/mol×K 928.89 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 3,4-difluorobenzyl isobutyl ester. Diethylmalonic acid, 3,4-difluorobenzyl ethyl ester. Diethylmalonic acid, pentyl 3,4-difluorobenzyl ester. Diethylmalonic acid, 3,4-difluorobenzyl hexyl ester. Diethylmalonic acid, 3,4-difluorobenzyl decyl ester. Diethylmalonic acid, 3,4-difluorobenzyl dodecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl pentadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl heptadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl octadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl undecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl hexadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl octyl ester. Diethylmalonic acid, 3,4-difluorobenzyl nonyl ester. Diethylmalonic acid, 3,4-difluorobenzyl tridecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl heptyl ester.

Find more compounds similar to Diethylmalonic acid, 3,4-difluorobenzyl propyl ester.

Sources

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