Chemical Properties of Diethylmalonic acid, 2-fluorophenyl octadecyl ester

Diethylmalonic acid, 2-fluorophenyl octadecyl ester

InChI
InChI=1S/C31H51FO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-29(33)31(5-2,6-3)30(34)36-28-25-22-21-24-27(28)32/h21-22,24-25H,4-20,23,26H2,1-3H3
InChI Key
BMGPVJAVJDUTDB-UHFFFAOYSA-N
Formula
C31H51FO4
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1F
Molecular Weight1
506.73
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Physical Properties

Property Value Unit Source
ΔfusH° 74.10 kJ/mol Joback Calculated Property
log10WS -8.44 Relay (1.0) Calculated Property
logPoct/wat 9.342 Crippen Calculated Property
McVol 440.540 ml/mol McGowan Calculated Property
Pc 659.49 kPa Joback Calculated Property
Inp [3315.00; 3315.00]   Show Hide
Inp 3315.00 NIST
Inp 3315.00 NIST
Tboil 684.22 K Relay (1.0) Calculated Property
Tfus 321.19 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1549.28; 1637.37] J/mol×K [1053.02; 1303.38] Show Hide
Cp,gas 1549.28 J/mol×K 1053.02 Joback Calculated Property
Cp,gas 1568.45 J/mol×K 1094.75 Joback Calculated Property
Cp,gas 1585.64 J/mol×K 1136.47 Joback Calculated Property
Cp,gas 1600.99 J/mol×K 1178.20 Joback Calculated Property
Cp,gas 1614.63 J/mol×K 1219.93 Joback Calculated Property
Cp,gas 1626.71 J/mol×K 1261.65 Joback Calculated Property
Cp,gas 1637.37 J/mol×K 1303.38 Joback 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 undecyl 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 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 octadecyl ester.

Sources

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