Chemical Properties of 1,5-Pentanediol, O,O'-di(4-fluoro-2-trifluoromethylbenzoyl)-

1,5-Pentanediol, O,O'-di(4-fluoro-2-trifluoromethylbenzoyl)-

InChI
InChI=1S/C21H16F8O4/c22-12-4-6-14(16(10-12)20(24,25)26)18(30)32-8-2-1-3-9-33-19(31)15-7-5-13(23)11-17(15)21(27,28)29/h4-7,10-11H,1-3,8-9H2
InChI Key
RLMWRIIYAMUENS-UHFFFAOYSA-N
Formula
C21H16F8O4
SMILES
O=C(OCCCCCOC(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(F)cc1C(F)(F)F
Molecular Weight1
484.34
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Physical Properties

Property Value Unit Source
ΔfusH° 55.22 kJ/mol Joback Calculated Property
log10WS -7.53 Relay (1.0) Calculated Property
logPoct/wat 6.187 Crippen Calculated Property
McVol 288.270 ml/mol McGowan Calculated Property
Pc 1153.78 kPa Joback Calculated Property
Inp [2346.00; 2346.00]   Show Hide
Inp 2346.00 NIST
Inp 2346.00 NIST
Tfus 347.13 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 [442.00; 929.24] 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 A2.37850e+01
Coefficient B1.83940e+00
Coefficient C-1.19844e-03
Coefficient D2.64500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 442.00 J/mol×K 273.00 Calculated Property
Cp,gas 536.24 J/mol×K 353.78 Calculated Property
Cp,gas 618.50 J/mol×K 434.56 Calculated Property
Cp,gas 689.62 J/mol×K 515.33 Calculated Property
Cp,gas 750.44 J/mol×K 596.11 Calculated Property
Cp,gas 801.79 J/mol×K 676.89 Calculated Property
Cp,gas 844.51 J/mol×K 757.67 Calculated Property
Cp,gas 879.43 J/mol×K 838.44 Calculated Property
Cp,gas 907.40 J/mol×K 919.22 Calculated Property
Cp,gas 929.24 J/mol×K 1000.00 Calculated Property

Similar Compounds

4-Fluoro-2-trifluoromethylbenzoic acid, pentyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, hexyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, octyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, tridecyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, tetradecyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, undecyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, decyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, pentadecyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, heptyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, nonadecyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, eicosyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, dodecyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, nonyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, heptadecyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, octadecyl ester.

Find more compounds similar to 1,5-Pentanediol, O,O'-di(4-fluoro-2-trifluoromethylbenzoyl)-.

Sources

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