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

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

InChI
InChI=1S/C15H18ClFO4/c1-4-15(5-2,13(18)20-6-3)14(19)21-12-10(16)8-7-9-11(12)17/h7-9H,4-6H2,1-3H3
InChI Key
QFQJDLFNQWXJFC-UHFFFAOYSA-N
Formula
C15H18ClFO4
SMILES
CCOC(=O)C(CC)(CC)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
316.75
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Physical Properties

Property Value Unit Source
ΔfusH° 33.31 kJ/mol Joback Calculated Property
logPoct/wat 3.754 Crippen Calculated Property
McVol 227.340 ml/mol McGowan Calculated Property
Inp [1876.00; 1876.00]   Show Hide
Inp 1876.00 NIST
Inp 1876.00 NIST
Tboil 562.00 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 [628.81; 694.64] J/mol×K [765.29; 974.78] Show Hide
Cp,gas 628.81 J/mol×K 765.29 Joback Calculated Property
Cp,gas 642.10 J/mol×K 800.21 Joback Calculated Property
Cp,gas 654.42 J/mol×K 835.12 Joback Calculated Property
Cp,gas 665.81 J/mol×K 870.04 Joback Calculated Property
Cp,gas 676.30 J/mol×K 904.95 Joback Calculated Property
Cp,gas 685.89 J/mol×K 939.87 Joback Calculated Property
Cp,gas 694.64 J/mol×K 974.78 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 2-chloro-6-fluorophenyl propyl ester. Diethylmalonic acid, butyl 2-chloro-6-fluorophenyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl isobutyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl pentyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl hexyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl octyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl tridecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl pentadecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl hepyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl decyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl undecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl hexadecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl tetradecyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl dodecyl ester. Diethylmalonic acid, di(2-chloro-6-fluorophenyl) ester.

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

Sources

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