Chemical Properties of Fumaric acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

Fumaric acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI
InChI=1S/C16H20F8O4/c1-2-3-4-5-6-9-27-11(25)7-8-12(26)28-10-14(19,20)16(23,24)15(21,22)13(17)18/h7-8,13H,2-6,9-10H2,1H3/b8-7+
InChI Key
WINLQGHFBSYKHG-BQYQJAHWSA-N
Formula
C16H20F8O4
SMILES
CCCCCCCOC(=O)C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
Molecular Weight1
428.31
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
ΔfH°gas -2461.13 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 45.01 kJ/mol Joback Calculated Property
ΔvapH° 87.03 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.770 Crippen Calculated Property
McVol 261.040 ml/mol McGowan Calculated Property
Inp 1768.00 NIST
Tboil 558.82 K Relay (1.0) Calculated Property
Tfus 295.05 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 [424.47; 891.93] 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-1.39300e+00
Coefficient B1.91192e+00
Coefficient C-1.39100e-03
Coefficient D3.72400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 424.47 J/mol×K 273.00 Calculated Property
Cp,gas 517.40 J/mol×K 353.78 Calculated Property
Cp,gas 597.33 J/mol×K 434.56 Calculated Property
Cp,gas 665.44 J/mol×K 515.33 Calculated Property
Cp,gas 722.92 J/mol×K 596.11 Calculated Property
Cp,gas 770.93 J/mol×K 676.89 Calculated Property
Cp,gas 810.66 J/mol×K 757.67 Calculated Property
Cp,gas 843.29 J/mol×K 838.44 Calculated Property
Cp,gas 869.98 J/mol×K 919.22 Calculated Property
Cp,gas 891.93 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, nonadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentadecyl ester. Fumaric acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, octadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, hexadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, heptadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl tetradecyl ester. Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl undecyl ester. Fumaric acid, eicosyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl octyl ester. Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl tridecyl ester. Fumaric acid, decyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, hexyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentyl ester.

Find more compounds similar to Fumaric acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl 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.