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

Diethylmalonic acid, 3,4-difluorobenzyl propyl ester

InChI
InChI=1S/C17H22F2O4/c1-4-9-22-15(20)17(5-2,6-3)16(21)23-11-12-7-8-13(18)14(19)10-12/h7-8,10H,4-6,9,11H2,1-3H3
InChI Key
GRWXCDAWROEIEP-UHFFFAOYSA-N
Formula
C17H22F2O4
SMILES
CCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(F)c(F)c1
Molecular Weight1
328.35
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° 40.53 kJ/mol Joback Calculated Property
logPoct/wat 3.768 Crippen Calculated Property
McVol 245.050 ml/mol McGowan Calculated Property
Inp [1876.00; 1876.00]   Show Hide
Inp 1876.00 NIST
Inp 1876.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 [361.57; 803.60] 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 A2.06550e+01
Coefficient B1.46076e+00
Coefficient C-8.13520e-04
Coefficient D1.35700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 361.57 J/mol×K 273.00 Calculated Property
Cp,gas 441.63 J/mol×K 353.78 Calculated Property
Cp,gas 512.95 J/mol×K 434.56 Calculated Property
Cp,gas 575.96 J/mol×K 515.33 Calculated Property
Cp,gas 631.09 J/mol×K 596.11 Calculated Property
Cp,gas 678.78 J/mol×K 676.89 Calculated Property
Cp,gas 719.44 J/mol×K 757.67 Calculated Property
Cp,gas 753.51 J/mol×K 838.44 Calculated Property
Cp,gas 781.42 J/mol×K 919.22 Calculated Property
Cp,gas 803.60 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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