Chemical Properties of Diethylmalonic acid, 2-fluorophenyl undecyl ester

Diethylmalonic acid, 2-fluorophenyl undecyl ester

InChI
InChI=1S/C24H37FO4/c1-4-7-8-9-10-11-12-13-16-19-28-22(26)24(5-2,6-3)23(27)29-21-18-15-14-17-20(21)25/h14-15,17-18H,4-13,16,19H2,1-3H3
InChI Key
XRCQGHWIZMCFHM-UHFFFAOYSA-N
Formula
C24H37FO4
SMILES
CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1F
Molecular Weight1
408.55
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Physical Properties

Property Value Unit Source
ΔfusH° 55.97 kJ/mol Joback Calculated Property
log10WS -6.49 Relay (1.0) Calculated Property
logPoct/wat 6.612 Crippen Calculated Property
McVol 341.910 ml/mol McGowan Calculated Property
Pc 963.27 kPa Joback Calculated Property
Inp [2588.00; 2588.00]   Show Hide
Inp 2588.00 NIST
Inp 2588.00 NIST
Tboil 635.68 K Relay (1.0) Calculated Property
Tfus 308.02 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 [499.32; 1160.70] 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 A-6.09800e+00
Coefficient B2.17346e+00
Coefficient C-1.24496e-03
Coefficient D2.38300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 499.32 J/mol×K 273.00 Calculated Property
Cp,gas 617.56 J/mol×K 353.78 Calculated Property
Cp,gas 722.85 J/mol×K 434.56 Calculated Property
Cp,gas 815.95 J/mol×K 515.33 Calculated Property
Cp,gas 897.61 J/mol×K 596.11 Calculated Property
Cp,gas 968.58 J/mol×K 676.89 Calculated Property
Cp,gas 1029.63 J/mol×K 757.67 Calculated Property
Cp,gas 1081.49 J/mol×K 838.44 Calculated Property
Cp,gas 1124.93 J/mol×K 919.22 Calculated Property
Cp,gas 1160.70 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, 2-fluorophenyl octyl ester. Diethylmalonic acid, 2-fluorophenyl tetradecyl ester. Diethylmalonic acid, 2-fluorophenyl tridecyl ester. Diethylmalonic acid, dodecyl 2-fluorophenyl ester. Diethylmalonic acid, 2-fluorophenyl heptyl ester. Diethylmalonic acid, 2-fluorophenyl hexyl ester. Diethylmalonic acid, 2-fluorophenyl nonyl ester. Diethylmalonic acid, 2-fluorophenyl pentadecyl ester. Diethylmalonic acid, decyl 2-fluorophenyl ester. Diethylmalonic acid, 2-fluorophenyl octadecyl ester. Diethylmalonic acid, 2-fluorophenyl heptadecyl ester. Diethylmalonic acid, 2-fluorophenyl hexadecyl ester. Diethylmalonic acid, 2-fluorophenyl pentyl ester. Diethylmalonic acid, butyl 2-fluorophenyl ester. Diethylmalonic acid, dodecyl 3-fluorophenyl ester.

Find more compounds similar to Diethylmalonic acid, 2-fluorophenyl undecyl ester.

Sources

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