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

Diethylmalonic acid, 3,4-difluorobenzyl heptadecyl ester

InChI
InChI=1S/C31H50F2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-36-29(34)31(5-2,6-3)30(35)37-25-26-21-22-27(32)28(33)24-26/h21-22,24H,4-20,23,25H2,1-3H3
InChI Key
YIDHDUDPCVPBHQ-UHFFFAOYSA-N
Formula
C31H50F2O4
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(F)c(F)c1
Molecular Weight1
524.72
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Physical Properties

Property Value Unit Source
ΔfusH° 76.79 kJ/mol Joback Calculated Property
log10WS -8.68 Relay (1.0) Calculated Property
logPoct/wat 9.229 Crippen Calculated Property
McVol 442.310 ml/mol McGowan Calculated Property
Inp [3254.00; 3254.00]   Show Hide
Inp 3254.00 NIST
Inp 3254.00 NIST
Tboil 691.64 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [658.57; 1525.87] 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 A7.92900e+00
Coefficient B2.79076e+00
Coefficient C-1.57512e-03
Coefficient D3.02300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 658.57 J/mol×K 273.00 Calculated Property
Cp,gas 811.48 J/mol×K 353.78 Calculated Property
Cp,gas 948.03 J/mol×K 434.56 Calculated Property
Cp,gas 1069.17 J/mol×K 515.33 Calculated Property
Cp,gas 1175.85 J/mol×K 596.11 Calculated Property
Cp,gas 1269.03 J/mol×K 676.89 Calculated Property
Cp,gas 1349.67 J/mol×K 757.67 Calculated Property
Cp,gas 1418.71 J/mol×K 838.44 Calculated Property
Cp,gas 1477.13 J/mol×K 919.22 Calculated Property
Cp,gas 1525.87 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, 3,4-difluorobenzyl decyl ester. Diethylmalonic acid, 3,4-difluorobenzyl nonyl ester. Diethylmalonic acid, 3,4-difluorobenzyl dodecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl tridecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl undecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl octyl ester. Diethylmalonic acid, 3,4-difluorobenzyl hexadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl pentadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl heptyl ester. Diethylmalonic acid, 3,4-difluorobenzyl octadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl hexyl ester. Diethylmalonic acid, pentyl 3,4-difluorobenzyl ester. Diethylmalonic acid, 3,4-difluorobenzyl propyl ester. Diethylmalonic acid, butyl 3,4,5-trifluorobenzyl ester. Diethylmalonic acid, 3,4-difluorobenzyl isobutyl ester.

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

Sources

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