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

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

InChI
InChI=1S/C29H46ClFO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34-27(32)29(5-2,6-3)28(33)35-26-24(30)21-20-22-25(26)31/h20-22H,4-19,23H2,1-3H3
InChI Key
GUKPVJFMCBWHKX-UHFFFAOYSA-N
Formula
C29H46ClFO4
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
513.13
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Physical Properties

Property Value Unit Source
ΔfusH° 72.73 kJ/mol Joback Calculated Property
logPoct/wat 9.215 Crippen Calculated Property
McVol 424.600 ml/mol McGowan Calculated Property
Inp [3297.00; 3297.00]   Show Hide
Inp 3297.00 NIST
Inp 3297.00 NIST
Tboil 671.15 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1447.26; 1524.21] J/mol×K [1049.67; 1293.55] Show Hide
Cp,gas 1447.26 J/mol×K 1049.67 Joback Calculated Property
Cp,gas 1464.23 J/mol×K 1090.32 Joback Calculated Property
Cp,gas 1479.40 J/mol×K 1130.96 Joback Calculated Property
Cp,gas 1492.86 J/mol×K 1171.61 Joback Calculated Property
Cp,gas 1504.74 J/mol×K 1212.26 Joback Calculated Property
Cp,gas 1515.16 J/mol×K 1252.91 Joback Calculated Property
Cp,gas 1524.21 J/mol×K 1293.55 Joback Calculated Property

Similar Compounds

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

Sources

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