Chemical Properties of Diethylmalonic acid, monochloride, pentafluorobenzyl ester

Diethylmalonic acid, monochloride, pentafluorobenzyl ester

InChI
InChI=1S/C14H12ClF5O3/c1-3-14(4-2,12(15)21)13(22)23-5-6-7(16)9(18)11(20)10(19)8(6)17/h3-5H2,1-2H3
InChI Key
HYUVVJFEDWDPOO-UHFFFAOYSA-N
Formula
C14H12ClF5O3
SMILES
CCC(CC)(C(=O)Cl)C(=O)OCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
358.69
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Physical Properties

Property Value Unit Source
ΔfusH° 42.26 kJ/mol Joback Calculated Property
logPoct/wat 3.997 Crippen Calculated Property
McVol 214.460 ml/mol McGowan Calculated Property
Inp [1583.00; 1583.00]   Show Hide
Inp 1583.00 NIST
Inp 1583.00 NIST
Tboil 538.48 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 [573.66; 629.61] J/mol×K [714.14; 900.10] Show Hide
Cp,gas 573.66 J/mol×K 714.14 Joback Calculated Property
Cp,gas 584.72 J/mol×K 745.13 Joback Calculated Property
Cp,gas 595.06 J/mol×K 776.13 Joback Calculated Property
Cp,gas 604.70 J/mol×K 807.12 Joback Calculated Property
Cp,gas 613.66 J/mol×K 838.12 Joback Calculated Property
Cp,gas 621.96 J/mol×K 869.11 Joback Calculated Property
Cp,gas 629.61 J/mol×K 900.10 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, monochloride, 2,4,5-trifluorobenzyl ester. Diethylmalonic acid, dipentafluorobenzyl ester. Diethylmalonic acid, monochloride, 3,4,5-trifluorobenzyl ester. Diethylmalonic acid, ethyl pentafluorobenzyl ester. Diethylmalonic acid, pentafluorobenzyl pentyl ester. Diethylmalonic acid, isobutyl pentafluorobenzyl ester. Diethylmalonic acid, pentafluorobenzyl propyl ester. Diethylmalonic acid, hexyl pentafluorobenzyl ester. Diethylmalonic acid, butyl pentafluorobenzyl ester. Diethylmalonic acid, dodecyl pentafluorobenzyl ester. Diethylmalonic acid, heptadecyl pentafluorobenzyl ester. Diethylmalonic acid, octyl pentafluorobenzyl ester. Diethylmalonic acid, pentafluorobenzyl tridecyl ester. Diethylmalonic acid, nonyl pentafluorobenzyl ester. Diethylmalonic acid, pentadecyl pentafluorobenzyl ester.

Find more compounds similar to Diethylmalonic acid, monochloride, pentafluorobenzyl ester.

Sources

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