Chemical Properties of 2,4-Dimethylpentan-3-yl 2,3,4,5,6-pentafluorobenzoate

2,4-Dimethylpentan-3-yl 2,3,4,5,6-pentafluorobenzoate

InChI
InChI=1S/C14H15F5O2/c1-5(2)13(6(3)4)21-14(20)7-8(15)10(17)12(19)11(18)9(7)16/h5-6,13H,1-4H3
InChI Key
PDADNVLCYCMZTB-UHFFFAOYSA-N
Formula
C14H15F5O2
SMILES
CC(C)C(OC(=O)c1c(F)c(F)c(F)c(F)c1F)C(C)C
Molecular Weight1
310.26
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Physical Properties

Property Value Unit Source
ΔfusH° 33.31 kJ/mol Joback Calculated Property
IE 9.66 eV Relay (1.0) Calculated Property
logPoct/wat 4.220 Crippen Calculated Property
McVol 200.650 ml/mol McGowan Calculated Property
Inp [1406.00; 1406.00]   Show Hide
Inp 1406.00 NIST
Inp 1406.00 NIST
Tboil 519.87 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [314.36; 652.95] 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 A7.85700e+01
Coefficient B9.79380e-01
Coefficient C-4.30800e-04
Coefficient D2.58000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 314.36 J/mol×K 273.00 Calculated Property
Cp,gas 372.28 J/mol×K 353.78 Calculated Property
Cp,gas 424.93 J/mol×K 434.56 Calculated Property
Cp,gas 472.40 J/mol×K 515.33 Calculated Property
Cp,gas 514.77 J/mol×K 596.11 Calculated Property
Cp,gas 552.12 J/mol×K 676.89 Calculated Property
Cp,gas 584.53 J/mol×K 757.67 Calculated Property
Cp,gas 612.08 J/mol×K 838.44 Calculated Property
Cp,gas 634.86 J/mol×K 919.22 Calculated Property
Cp,gas 652.95 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Methylbutan-2-yl 2,3,4,5,6-pentafluorobenzoate. 4-Methylpentan-2-yl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, 2-methylpentyl ester. Pentafluorobenzoic acid, 2-pentyl ester. Pentafluorobenzoic acid, 2-butyl ester. Decan-2-yl 2,3,4,5,6-pentafluorobenzoate. Octan-2-yl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, 4-methoxy-2-methylbutyl ester. Pentafluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. Pentafluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 3-Methylpentan-3-yl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, 2-methylpropyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 3-methylbutyl-2 ester. Pentafluorobenzoic acid, hex-4-yn-3-yl ester. Pentafluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Find more compounds similar to 2,4-Dimethylpentan-3-yl 2,3,4,5,6-pentafluorobenzoate.

Sources

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