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

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

InChI
InChI=1S/C21H24F8O4/c1-2-3-4-5-6-7-11-32-16(30)14-9-8-10-15(12-14)17(31)33-13-19(24,25)21(28,29)20(26,27)18(22)23/h8-10,12,18H,2-7,11,13H2,1H3
InChI Key
ZQQLWTYGYZUACA-UHFFFAOYSA-N
Formula
C21H24F8O4
SMILES
CCCCCCCCOC(=O)c1cccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1
Molecular Weight1
492.40
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Physical Properties

Property Value Unit Source
ω 1.0444 Relay (1.0) Calculated Property
ΔfusH° 51.41 kJ/mol Joback Calculated Property
log10WS -7.75 Relay (1.0) Calculated Property
logPoct/wat 6.532 Crippen Calculated Property
McVol 312.030 ml/mol McGowan Calculated Property
Pc 974.73 kPa Joback Calculated Property
Inp [2291.00; 2291.00]   Show Hide
Inp 2291.00 NIST
Inp 2291.00 NIST
Tboil 644.26 K Relay (1.0) Calculated Property
Tc 804.94 K Relay (1.0) Calculated Property
Tfus 308.13 K Relay (1.0) Calculated Property
Vc 1.173 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 [489.83; 1058.90] 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-1.13620e+01
Coefficient B2.22852e+00
Coefficient C-1.54336e-03
Coefficient D3.85100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 489.83 J/mol×K 273.00 Calculated Property
Cp,gas 600.93 J/mol×K 353.78 Calculated Property
Cp,gas 697.21 J/mol×K 434.56 Calculated Property
Cp,gas 779.90 J/mol×K 515.33 Calculated Property
Cp,gas 850.23 J/mol×K 596.11 Calculated Property
Cp,gas 909.40 J/mol×K 676.89 Calculated Property
Cp,gas 958.63 J/mol×K 757.67 Calculated Property
Cp,gas 999.15 J/mol×K 838.44 Calculated Property
Cp,gas 1032.16 J/mol×K 919.22 Calculated Property
Cp,gas 1058.90 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 pentadecyl 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 octyl ester.

Sources

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