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

3-Phenylpropionic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI
InChI=1S/C14H12F8O2/c15-11(16)13(19,20)14(21,22)12(17,18)8-24-10(23)7-6-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChI Key
PZWWDCHGPGLXKZ-UHFFFAOYSA-N
Formula
C14H12F8O2
SMILES
O=C(CCc1ccccc1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
Molecular Weight1
364.23
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Physical Properties

Property Value Unit Source
ΔfusH° 29.30 kJ/mol Joback Calculated Property
IE 9.30 eV Relay (1.0) Calculated Property
log10WS -5.33 Relay (1.0) Calculated Property
logPoct/wat 4.333 Crippen Calculated Property
McVol 205.960 ml/mol McGowan Calculated Property
Pc 1573.45 kPa Joback Calculated Property
Inp [1502.00; 1502.00]   Show Hide
Inp 1502.00 NIST
Inp 1502.00 NIST
Tboil 544.11 K Relay (1.0) Calculated Property
Tfus 284.89 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 [322.45; 692.69] 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-4.47070e+01
Coefficient B1.67780e+00
Coefficient C-1.32420e-03
Coefficient D3.83800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 322.45 J/mol×K 273.00 Calculated Property
Cp,gas 400.12 J/mol×K 353.78 Calculated Property
Cp,gas 465.83 J/mol×K 434.56 Calculated Property
Cp,gas 520.78 J/mol×K 515.33 Calculated Property
Cp,gas 566.20 J/mol×K 596.11 Calculated Property
Cp,gas 603.29 J/mol×K 676.89 Calculated Property
Cp,gas 633.27 J/mol×K 757.67 Calculated Property
Cp,gas 657.36 J/mol×K 838.44 Calculated Property
Cp,gas 676.76 J/mol×K 919.22 Calculated Property
Cp,gas 692.69 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-phenylpropyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-phenylpropyl ester. Fumaric acid, 3-phenylpropyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl phenethyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl phenethyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-propylphenyl ester. Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-propylphenyl ester. Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 1-phenylpropyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-ethylphenyl ester. Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-ethylphenyl ester. Glutaric acid, 2,2,3,3-tetrafluoropropyl 3-phenylpropyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 1-phenylpropyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-ethylphenyl ester. 4-Butylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 2-phenethyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Find more compounds similar to 3-Phenylpropionic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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