Chemical Properties of Diethylmalonic acid, 2-fluorophenyl octyl ester

Diethylmalonic acid, 2-fluorophenyl octyl ester

InChI
InChI=1S/C21H31FO4/c1-4-7-8-9-10-13-16-25-19(23)21(5-2,6-3)20(24)26-18-15-12-11-14-17(18)22/h11-12,14-15H,4-10,13,16H2,1-3H3
InChI Key
VVOOXCSQTAHHDS-UHFFFAOYSA-N
Formula
C21H31FO4
SMILES
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1F
Molecular Weight1
366.47
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Physical Properties

Property Value Unit Source
ΔfusH° 48.20 kJ/mol Joback Calculated Property
log10WS -5.62 Relay (1.0) Calculated Property
logPoct/wat 5.441 Crippen Calculated Property
McVol 299.640 ml/mol McGowan Calculated Property
Pc 1161.66 kPa Joback Calculated Property
Inp [2267.00; 2267.00]   Show Hide
Inp 2267.00 NIST
Inp 2267.00 NIST
Tboil 613.79 K Relay (1.0) Calculated Property
Tfus 303.03 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 [931.69; 1012.48] J/mol×K [824.22; 1020.28] Show Hide
Cp,gas 931.69 J/mol×K 824.22 Joback Calculated Property
Cp,gas 948.01 J/mol×K 856.90 Joback Calculated Property
Cp,gas 963.13 J/mol×K 889.57 Joback Calculated Property
Cp,gas 977.10 J/mol×K 922.25 Joback Calculated Property
Cp,gas 989.95 J/mol×K 954.93 Joback Calculated Property
Cp,gas 1001.73 J/mol×K 987.60 Joback Calculated Property
Cp,gas 1012.48 J/mol×K 1020.28 Joback Calculated Property

Similar Compounds

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 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 octyl ester.

Sources

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