Chemical Properties of Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentadecyl ester

Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentadecyl ester

InChI
InChI=1S/C28H38F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-39-23(37)21-16-15-17-22(19-21)24(38)40-20-26(31,32)28(35,36)27(33,34)25(29)30/h15-17,19,25H,2-14,18,20H2,1H3
InChI Key
JADKPCRIFLKOAJ-UHFFFAOYSA-N
Formula
C28H38F8O4
SMILES
CCCCCCCCCCCCCCCOC(=O)c1cccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1
Molecular Weight1
590.59
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
ω 1.3058 Relay (1.0) Calculated Property
ΔfusH° 69.54 kJ/mol Joback Calculated Property
log10WS -9.58 Relay (1.0) Calculated Property
logPoct/wat 9.262 Crippen Calculated Property
McVol 410.660 ml/mol McGowan Calculated Property
Pc 665.97 kPa Joback Calculated Property
Inp 2960.00 NIST
Tboil 699.35 K Relay (1.0) Calculated Property
Tc 861.86 K Relay (1.0) Calculated Property
Tfus 321.04 K Relay (1.0) Calculated Property
Vc 1.547 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy 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 [638.33; 1420.04] 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-1.77250e+01
Coefficient B2.89352e+00
Coefficient C-1.92416e-03
Coefficient D4.68400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 638.33 J/mol×K 273.00 Calculated Property
Cp,gas 785.85 J/mol×K 353.78 Calculated Property
Cp,gas 914.75 J/mol×K 434.56 Calculated Property
Cp,gas 1026.51 J/mol×K 515.33 Calculated Property
Cp,gas 1122.61 J/mol×K 596.11 Calculated Property
Cp,gas 1204.53 J/mol×K 676.89 Calculated Property
Cp,gas 1273.75 J/mol×K 757.67 Calculated Property
Cp,gas 1331.75 J/mol×K 838.44 Calculated Property
Cp,gas 1380.02 J/mol×K 919.22 Calculated Property
Cp,gas 1420.03 J/mol×K 1000.00 Calculated Property

Similar Compounds

Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tridecyl ester. Isophthalic acid, octadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, heptadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, hexadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl octyl ester. Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl undecyl ester. Isophthalic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tetradecyl ester. Isophthalic acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, decyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl octyl ester. Terephthalic acid, decyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Terephthalic acid, dodecyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Terephthalic acid, heptadecyl 2,2,3,3,4,4,4-heptafluorobutyl ester.

Find more compounds similar to Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentadecyl 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.