Chemical Properties of Sebacic acid, isobutyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

Sebacic acid, isobutyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI
InChI=1S/C19H28F8O4/c1-13(2)11-30-14(28)9-7-5-3-4-6-8-10-15(29)31-12-17(22,23)19(26,27)18(24,25)16(20)21/h13,16H,3-12H2,1-2H3
InChI Key
FCZXNMURSXVHFT-UHFFFAOYSA-N
Formula
C19H28F8O4
SMILES
CC(C)COC(=O)CCCCCCCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
Molecular Weight1
472.41
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 -2623.37 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 49.06 kJ/mol Joback Calculated Property
ΔvapH° 94.25 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 6.021 Crippen Calculated Property
McVol 307.610 ml/mol McGowan Calculated Property
Pc 907.79 kPa Joback Calculated Property
Inp [2032.00; 2032.00]   Show Hide
Inp 2032.00 NIST
Inp 2032.00 NIST
Tboil 592.86 K Relay (1.0) Calculated Property
Tc 721.64 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 [501.80; 1077.82] 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 A8.38000e+00
Coefficient B2.18284e+00
Coefficient C-1.47360e-03
Coefficient D3.60200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 501.80 J/mol×K 273.00 Calculated Property
Cp,gas 612.14 J/mol×K 353.78 Calculated Property
Cp,gas 708.23 J/mol×K 434.56 Calculated Property
Cp,gas 791.22 J/mol×K 515.33 Calculated Property
Cp,gas 862.25 J/mol×K 596.11 Calculated Property
Cp,gas 922.46 J/mol×K 676.89 Calculated Property
Cp,gas 972.98 J/mol×K 757.67 Calculated Property
Cp,gas 1014.95 J/mol×K 838.44 Calculated Property
Cp,gas 1049.52 J/mol×K 919.22 Calculated Property
Cp,gas 1077.82 J/mol×K 1000.00 Calculated Property

Similar Compounds

Adipic acid, isobutyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Sebacic acid, butyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentyl ester. Sebacic acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentadecyl ester. Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl octyl ester. Sebacic acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl undecyl ester. Sebacic acid, hexyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tetradecyl ester. Sebacic acid, hexadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Sebacic acid, decyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Sebacic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Sebacic acid, octadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Sebacic acid, heptadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Find more compounds similar to Sebacic acid, isobutyl 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.