Chemical Properties of Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-methylphenyl ester

Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-methylphenyl ester

InChI
InChI=1S/C17H16F8O4/c1-10-4-2-5-11(8-10)29-13(27)7-3-6-12(26)28-9-15(20,21)17(24,25)16(22,23)14(18)19/h2,4-5,8,14H,3,6-7,9H2,1H3
InChI Key
ZVNRBOOXZIZLTQ-UHFFFAOYSA-N
Formula
C17H16F8O4
SMILES
Cc1cccc(OC(=O)CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1
Molecular Weight1
436.29
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° 41.05 kJ/mol Joback Calculated Property
IE 8.80 eV Relay (1.0) Calculated Property
logPoct/wat 4.785 Crippen Calculated Property
McVol 255.670 ml/mol McGowan Calculated Property
Inp [1917.00; 1917.00]   Show Hide
Inp 1917.00 NIST
Inp 1917.00 NIST
Tboil 605.20 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, 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 [404.98; 852.53] 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 A-7.72600e+00
Coefficient B1.84852e+00
Coefficient C-1.32576e-03
Coefficient D3.37500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 404.98 J/mol×K 273.00 Calculated Property
Cp,gas 495.25 J/mol×K 353.78 Calculated Property
Cp,gas 572.90 J/mol×K 434.56 Calculated Property
Cp,gas 638.99 J/mol×K 515.33 Calculated Property
Cp,gas 694.58 J/mol×K 596.11 Calculated Property
Cp,gas 740.75 J/mol×K 676.89 Calculated Property
Cp,gas 778.57 J/mol×K 757.67 Calculated Property
Cp,gas 809.09 J/mol×K 838.44 Calculated Property
Cp,gas 833.39 J/mol×K 919.22 Calculated Property
Cp,gas 852.53 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-methylphenyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-ethylphenyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,3-dimethylphenyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-chloro-5-methylphenyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 5-methyl-2-methoxybenzyl ester. Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-ethylphenyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-formylphenyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-methyl-4-chlorophenyl ester. Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-methylphenyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-ethylphenyl ester. Succinic acid, 4-chloro-3-methylphenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,3-dimethylphenyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-fluoro-3-trifluoromethylphenyl ester. Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-chloro-2-methylphenyl ester. Glutaric acid, 2,2,3,3-tetrafluoropropyl 3-ethylphenyl ester.

Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-methylphenyl 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.