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

Diethylmalonic acid, 3,4-difluorobenzyl octyl ester

InChI
InChI=1S/C22H32F2O4/c1-4-7-8-9-10-11-14-27-20(25)22(5-2,6-3)21(26)28-16-17-12-13-18(23)19(24)15-17/h12-13,15H,4-11,14,16H2,1-3H3
InChI Key
WGCZELMASVUQOV-UHFFFAOYSA-N
Formula
C22H32F2O4
SMILES
CCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(F)c(F)c1
Molecular Weight1
398.48
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° 53.48 kJ/mol Joback Calculated Property
log10WS -6.19 Relay (1.0) Calculated Property
logPoct/wat 5.718 Crippen Calculated Property
McVol 315.500 ml/mol McGowan Calculated Property
Inp [2357.00; 2357.00]   Show Hide
Inp 2357.00 NIST
Inp 2357.00 NIST
Tboil 627.13 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 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 [467.64; 1061.55] 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 A1.61100e+01
Coefficient B1.93576e+00
Coefficient C-1.08552e-03
Coefficient D1.95200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 467.64 J/mol×K 273.00 Calculated Property
Cp,gas 573.72 J/mol×K 353.78 Calculated Property
Cp,gas 668.34 J/mol×K 434.56 Calculated Property
Cp,gas 752.11 J/mol×K 515.33 Calculated Property
Cp,gas 825.65 J/mol×K 596.11 Calculated Property
Cp,gas 889.58 J/mol×K 676.89 Calculated Property
Cp,gas 944.52 J/mol×K 757.67 Calculated Property
Cp,gas 991.08 J/mol×K 838.44 Calculated Property
Cp,gas 1029.89 J/mol×K 919.22 Calculated Property
Cp,gas 1061.55 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, 3,4-difluorobenzyl decyl ester. Diethylmalonic acid, 3,4-difluorobenzyl nonyl ester. Diethylmalonic acid, 3,4-difluorobenzyl dodecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl tridecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl undecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl hexadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl pentadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl heptyl ester. Diethylmalonic acid, 3,4-difluorobenzyl octadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl heptadecyl ester. Diethylmalonic acid, 3,4-difluorobenzyl hexyl ester. Diethylmalonic acid, pentyl 3,4-difluorobenzyl 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, 3,4-difluorobenzyl octyl 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.