Chemical Properties of Glutaric acid, naphth-2-ylmethyl pentafluorobenzyl ester

Glutaric acid, naphth-2-ylmethyl pentafluorobenzyl ester

InChI
InChI=1S/C23H17F5O4/c24-19-16(20(25)22(27)23(28)21(19)26)12-32-18(30)7-3-6-17(29)31-11-13-8-9-14-4-1-2-5-15(14)10-13/h1-2,4-5,8-10H,3,6-7,11-12H2
InChI Key
ULALZRLFPGPQBB-UHFFFAOYSA-N
Formula
C23H17F5O4
SMILES
O=C(CCCC(=O)OCc1c(F)c(F)c(F)c(F)c1F)OCc1ccc2ccccc2c1
Molecular Weight1
452.37
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° 62.23 kJ/mol Joback Calculated Property
IE 8.24 eV Relay (1.0) Calculated Property
logPoct/wat 5.492 Crippen Calculated Property
McVol 291.680 ml/mol McGowan Calculated Property
Inp [2929.00; 2929.00]   Show Hide
Inp 2929.00 NIST
Inp 2929.00 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, 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 [426.86; 911.41] 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 A4.97950e+01
Coefficient B1.61970e+00
Coefficient C-9.17080e-04
Coefficient D1.59000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 426.86 J/mol×K 273.00 Calculated Property
Cp,gas 515.07 J/mol×K 353.78 Calculated Property
Cp,gas 593.51 J/mol×K 434.56 Calculated Property
Cp,gas 662.69 J/mol×K 515.33 Calculated Property
Cp,gas 723.11 J/mol×K 596.11 Calculated Property
Cp,gas 775.28 J/mol×K 676.89 Calculated Property
Cp,gas 819.69 J/mol×K 757.67 Calculated Property
Cp,gas 856.84 J/mol×K 838.44 Calculated Property
Cp,gas 887.25 J/mol×K 919.22 Calculated Property
Cp,gas 911.41 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 2,2-dichloroethyl (2-naphthyl)methyl ester. Glutaric acid, naphth-2-ylmethyl 2-fluoroethyl ester. Glutaric acid, di(2,4,5-trifluorobenzyl) ester. Glutaric acid, di(2,5-difluorobenzyl) ester. Glutaric acid, but-3-yn-2-yl (2-naphthyl)methyl ester. Glutaric acid, naphth-2-ylmethyl pentafluorophenyl ester. Glutaric acid, 2,4,5-trifluorobenzyl ethyl ester. Glutaric acid, 2,5-difluorobenzyl ethyl ester. Glutaric acid, di(2,3,4,5-tetrafluorobenzyl) ester. Sebacic acid, di(2,5-difluorobenzyl) ester. Glutaric acid, di(2-fluorobenzyl) ester. Glutaric acid, 3-methylbut-2-en-1-yl (2-naphthyl)methyl ester. Glutaric acid, naphth-2-ylmethyl 2-chloro-5-methylphenyl ester. Glutaric acid, naphth-2-ylmethyl neopentyl ester. Fumaric acid, pentafluorobenzyl naphth-2-ylmethyl ester.

Find more compounds similar to Glutaric acid, naphth-2-ylmethyl pentafluorobenzyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.