Chemical Properties of Diethylmalonic acid, 2-chloro-6-fluorophenyl tetradecyl ester

Diethylmalonic acid, 2-chloro-6-fluorophenyl tetradecyl ester

InChI
InChI=1S/C27H42ClFO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-32-25(30)27(5-2,6-3)26(31)33-24-22(28)19-18-20-23(24)29/h18-20H,4-17,21H2,1-3H3
InChI Key
KLANPTDHODLZSF-UHFFFAOYSA-N
Formula
C27H42ClFO4
SMILES
CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
485.07
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Physical Properties

Property Value Unit Source
ΔfusH° 67.55 kJ/mol Joback Calculated Property
logPoct/wat 8.435 Crippen Calculated Property
McVol 396.420 ml/mol McGowan Calculated Property
Inp [3095.00; 3095.00]   Show Hide
Inp 3095.00 NIST
Inp 3095.00 NIST
Tboil 657.29 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, 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 [578.92; 1320.71] 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 A1.83650e+01
Coefficient B2.40576e+00
Coefficient C-1.36152e-03
Coefficient D2.58100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 578.92 J/mol×K 273.00 Calculated Property
Cp,gas 710.49 J/mol×K 353.78 Calculated Property
Cp,gas 827.87 J/mol×K 434.56 Calculated Property
Cp,gas 931.88 J/mol×K 515.33 Calculated Property
Cp,gas 1023.32 J/mol×K 596.11 Calculated Property
Cp,gas 1103.02 J/mol×K 676.89 Calculated Property
Cp,gas 1171.80 J/mol×K 757.67 Calculated Property
Cp,gas 1230.46 J/mol×K 838.44 Calculated Property
Cp,gas 1279.82 J/mol×K 919.22 Calculated Property
Cp,gas 1320.70 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, 2-chloro-6-fluorophenyl hexadecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl pentadecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl dodecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl octyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl undecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl decyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl hepyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl tridecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl hexyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl pentyl ester. Diethylmalonic acid, butyl 2-chloro-6-fluorophenyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl propyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl isobutyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl tridecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl heptadecyl ester.

Find more compounds similar to Diethylmalonic acid, 2-chloro-6-fluorophenyl tetradecyl ester.

Sources

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