Chemical Properties of Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl isobutyl ester

Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl isobutyl ester

InChI
InChI=1S/C16H15F7O4/c1-9(2)7-26-12(24)10-5-3-4-6-11(10)13(25)27-8-14(17,18)15(19,20)16(21,22)23/h3-6,9H,7-8H2,1-2H3
InChI Key
OECFFJKNONTTDW-UHFFFAOYSA-N
Formula
C16H15F7O4
SMILES
CC(C)COC(=O)c1ccccc1C(=O)OCC(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
404.28
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Physical Properties

Property Value Unit Source
ΔfH°gas -2188.51 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 35.38 kJ/mol Joback Calculated Property
ΔvapH° 77.74 kJ/mol Relay (1.0) Calculated Property
log10WS -5.87 Relay (1.0) Calculated Property
logPoct/wat 4.489 Crippen Calculated Property
McVol 239.810 ml/mol McGowan Calculated Property
Pc 1394.37 kPa Joback Calculated Property
Inp [1751.00; 1751.00]   Show Hide
Inp 1751.00 NIST
Inp 1751.00 NIST
Tboil 571.74 K Relay (1.0) Calculated Property
Tfus 264.06 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 [375.57; 793.87] 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-1.29080e+01
Coefficient B1.74174e+00
Coefficient C-1.25496e-03
Coefficient D3.20000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 375.57 J/mol×K 273.00 Calculated Property
Cp,gas 460.38 J/mol×K 353.78 Calculated Property
Cp,gas 533.25 J/mol×K 434.56 Calculated Property
Cp,gas 595.18 J/mol×K 515.33 Calculated Property
Cp,gas 647.20 J/mol×K 596.11 Calculated Property
Cp,gas 690.30 J/mol×K 676.89 Calculated Property
Cp,gas 725.51 J/mol×K 757.67 Calculated Property
Cp,gas 753.83 J/mol×K 838.44 Calculated Property
Cp,gas 776.28 J/mol×K 919.22 Calculated Property
Cp,gas 793.87 J/mol×K 1000.00 Calculated Property

Similar Compounds

Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester. Phthalic acid, butyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Phthalic acid, di(2,2,3,3,4,4,4-heptafluorobutyl) ester. Phthalic acid, ethyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentyl ester. Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl isobutyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester. Phthalic acid, decyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Phthalic acid, heptadecyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl tetradecyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl nonyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentadecyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl tridecyl ester.

Find more compounds similar to Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl isobutyl ester.

Sources

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