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

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

InChI
InChI=1S/C13H10F8O2/c1-7-2-4-8(5-3-7)9(22)23-6-11(16,17)13(20,21)12(18,19)10(14)15/h2-5,10H,6H2,1H3
InChI Key
VFQPUOOYILXUNL-UHFFFAOYSA-N
Formula
C13H10F8O2
SMILES
Cc1ccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1
Molecular Weight1
350.20
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Physical Properties

Property Value Unit Source
ΔfH°gas -1962.92 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 24.74 kJ/mol Joback Calculated Property
IE 9.41 eV Relay (1.0) Calculated Property
logPoct/wat 4.323 Crippen Calculated Property
McVol 191.870 ml/mol McGowan Calculated Property
Inp [1438.00; 1438.00]   Show Hide
Inp 1438.00 NIST
Inp 1438.00 NIST
Tboil 537.15 K Relay (1.0) Calculated Property
Tfus 308.10 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [518.10; 583.30] J/mol×K [588.82; 761.20] Show Hide
Cp,gas 518.10 J/mol×K 588.82 Joback Calculated Property
Cp,gas 531.03 J/mol×K 617.55 Joback Calculated Property
Cp,gas 543.06 J/mol×K 646.28 Joback Calculated Property
Cp,gas 554.26 J/mol×K 675.01 Joback Calculated Property
Cp,gas 564.66 J/mol×K 703.74 Joback Calculated Property
Cp,gas 574.33 J/mol×K 732.47 Joback Calculated Property
Cp,gas 583.30 J/mol×K 761.20 Joback Calculated Property

Similar Compounds

Benzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Benzoic acid, 3-methyl-, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester. 4-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 4-Chlorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Bromobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2-Bromobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 1-Naphthoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2,4-Difluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 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 tetradecyl ester.

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

Sources

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