Chemical Properties of Diethylmalonic acid, pentyl 3,4-difluorobenzyl ester

Diethylmalonic acid, pentyl 3,4-difluorobenzyl ester

InChI
InChI=1S/C19H26F2O4/c1-4-7-8-11-24-17(22)19(5-2,6-3)18(23)25-13-14-9-10-15(20)16(21)12-14/h9-10,12H,4-8,11,13H2,1-3H3
InChI Key
QUEALYZFQNRQHR-UHFFFAOYSA-N
Formula
C19H26F2O4
SMILES
CCCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(F)c(F)c1
Molecular Weight1
356.40
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 45.71 kJ/mol Joback Calculated Property
logPoct/wat 4.548 Crippen Calculated Property
McVol 273.230 ml/mol McGowan Calculated Property
Inp [2057.00; 2057.00]   Show Hide
Inp 2057.00 NIST
Inp 2057.00 NIST
Tboil 601.15 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [404.00; 906.78] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.88370e+01
Coefficient B1.65076e+00
Coefficient C-9.22320e-04
Coefficient D1.59500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 404.00 J/mol×K 273.00 Calculated Property
Cp,gas 494.47 J/mol×K 353.78 Calculated Property
Cp,gas 575.10 J/mol×K 434.56 Calculated Property
Cp,gas 646.42 J/mol×K 515.33 Calculated Property
Cp,gas 708.91 J/mol×K 596.11 Calculated Property
Cp,gas 763.10 J/mol×K 676.89 Calculated Property
Cp,gas 809.47 J/mol×K 757.67 Calculated Property
Cp,gas 848.54 J/mol×K 838.44 Calculated Property
Cp,gas 880.81 J/mol×K 919.22 Calculated Property
Cp,gas 906.78 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, 3,4-difluorobenzyl hexyl ester. Diethylmalonic acid, 3,4-difluorobenzyl decyl ester. Diethylmalonic acid, 3,4-difluorobenzyl octadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl pentadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl hexadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl heptyl ester. Diethylmalonic acid, 3,4-difluorobenzyl nonyl ester. Diethylmalonic acid, 3,4-difluorobenzyl tridecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl heptadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl octyl ester. Diethylmalonic acid, 3,4-difluorobenzyl undecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl dodecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl propyl ester. Diethylmalonic acid, butyl 3,4,5-trifluorobenzyl ester. Diethylmalonic acid, 3,4-difluorobenzyl isobutyl ester.

Find more compounds similar to Diethylmalonic acid, pentyl 3,4-difluorobenzyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.