Chemical Properties of Glutaric acid, 2-methylhex-3-yl 2,3,6-trifluorobenzyl ester

Glutaric acid, 2-methylhex-3-yl 2,3,6-trifluorobenzyl ester

InChI
InChI=1S/C19H25F3O4/c1-4-6-16(12(2)3)26-18(24)8-5-7-17(23)25-11-13-14(20)9-10-15(21)19(13)22/h9-10,12,16H,4-8,11H2,1-3H3
InChI Key
POCZQSPJMYEMQF-UHFFFAOYSA-N
Formula
C19H25F3O4
SMILES
CCCC(OC(=O)CCCC(=O)OCc1c(F)ccc(F)c1F)C(C)C
Molecular Weight1
374.40
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° 48.77 kJ/mol Joback Calculated Property
logPoct/wat 4.685 Crippen Calculated Property
McVol 275.000 ml/mol McGowan Calculated Property
Inp [2206.00; 2206.00]   Show Hide
Inp 2206.00 NIST
Inp 2206.00 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 [415.58; 910.42] 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 A6.03360e+01
Coefficient B1.48906e+00
Coefficient C-7.06280e-04
Coefficient D6.73000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 415.58 J/mol×K 273.00 Calculated Property
Cp,gas 501.72 J/mol×K 353.78 Calculated Property
Cp,gas 579.57 J/mol×K 434.56 Calculated Property
Cp,gas 649.34 J/mol×K 515.33 Calculated Property
Cp,gas 711.26 J/mol×K 596.11 Calculated Property
Cp,gas 765.53 J/mol×K 676.89 Calculated Property
Cp,gas 812.37 J/mol×K 757.67 Calculated Property
Cp,gas 851.99 J/mol×K 838.44 Calculated Property
Cp,gas 884.60 J/mol×K 919.22 Calculated Property
Cp,gas 910.42 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, 2-methylhex-3-yl 2,3,6-trifluorobenzyl ester. Glutaric acid, 2,5-difluorobenzyl 2-methylhex-3-yl ester. Glutaric acid, 2-methylhex-3-yl 2,3,4,5-tetrafluorobenzyl ester. Glutaric acid, 2,4,5-trifluorobenzyl 2-methylhex-3-yl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl 2-methylhex-3-yl ester. Glutaric acid, 2-fluorobenzyl 2-methylhex-3-yl ester. Sebacic acid, 4-bromo-2,6-difluorobenzyl 2-methylhex-3-yl ester. Succinic acid, 2,5-difluorobenzyl 2-methylhex-3-yl ester. Succinic acid, 2-methylhex-3-yl 2,3,4,5-tetrafluorobenzyl ester. Glutaric acid, 3,4-difluorobenzyl 2-methylhex-3-yl ester. Glutaric acid, 3-fluorobenzyl 2-methylhex-3-yl ester. Succinic acid, 2-methylhex-3-yl 2,4,5-trifluorobenzyl ester. Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl 2-methylhex-3-yl ester. Succinic acid, 4-bromo-2,6-difluorobenzyl 2-methylhex-3-yl ester. Glutaric acid, 2-methylpent-3-yl pentafluorobenzyl ester.

Find more compounds similar to Glutaric acid, 2-methylhex-3-yl 2,3,6-trifluorobenzyl 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.