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

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

InChI
InChI=1S/C15H13F7O4/c1-2-7-25-11(23)9-5-3-4-6-10(9)12(24)26-8-13(16,17)14(18,19)15(20,21)22/h3-6H,2,7-8H2,1H3
InChI Key
UROUPYRSZUIYIH-UHFFFAOYSA-N
Formula
C15H13F7O4
SMILES
CCCOC(=O)c1ccccc1C(=O)OCC(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
390.25
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Physical Properties

Property Value Unit Source
ΔfH°gas -2150.56 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 36.31 kJ/mol Joback Calculated Property
ΔvapH° 75.72 kJ/mol Relay (1.0) Calculated Property
log10WS -5.73 Relay (1.0) Calculated Property
logPoct/wat 4.243 Crippen Calculated Property
McVol 225.720 ml/mol McGowan Calculated Property
Pc 1490.74 kPa Joback Calculated Property
Inp [1664.00; 1664.00]   Show Hide
Inp 1664.00 NIST
Inp 1664.00 NIST
Tboil 563.02 K Relay (1.0) Calculated Property
Tfus 249.08 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 [354.67; 741.74] 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-1.03170e+01
Coefficient B1.64082e+00
Coefficient C-1.19736e-03
Coefficient D3.08600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 354.67 J/mol×K 273.00 Calculated Property
Cp,gas 433.97 J/mol×K 353.78 Calculated Property
Cp,gas 501.93 J/mol×K 434.56 Calculated Property
Cp,gas 559.51 J/mol×K 515.33 Calculated Property
Cp,gas 607.68 J/mol×K 596.11 Calculated Property
Cp,gas 647.44 J/mol×K 676.89 Calculated Property
Cp,gas 679.75 J/mol×K 757.67 Calculated Property
Cp,gas 705.58 J/mol×K 838.44 Calculated Property
Cp,gas 725.92 J/mol×K 919.22 Calculated Property
Cp,gas 741.74 J/mol×K 1000.00 Calculated Property

Similar Compounds

Phthalic acid, butyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl isobutyl 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. Phthalic acid, di(2,2,3,3,4,4,4-heptafluorobutyl) 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, decyl 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, dodecyl 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 octyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl octadecyl ester.

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

Sources

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