Chemical Properties of 1-Butoxypropan-2-yl 2,3,4,5,6-pentafluorobenzoate

1-Butoxypropan-2-yl 2,3,4,5,6-pentafluorobenzoate

InChI
InChI=1S/C14H15F5O3/c1-3-4-5-21-6-7(2)22-14(20)8-9(15)11(17)13(19)12(18)10(8)16/h7H,3-6H2,1-2H3
InChI Key
HIPHBAOSIJPGCZ-UHFFFAOYSA-N
Formula
C14H15F5O3
SMILES
CCCCOCC(C)OC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
326.26
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Physical Properties

Property Value Unit Source
ΔfusH° 41.55 kJ/mol Joback Calculated Property
IE 9.58 eV Relay (1.0) Calculated Property
logPoct/wat 3.744 Crippen Calculated Property
McVol 206.520 ml/mol McGowan Calculated Property
Inp [1521.00; 1521.00]   Show Hide
Inp 1521.00 NIST
Inp 1521.00 NIST
Tboil 532.61 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 [330.39; 670.37] 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 A1.07434e+02
Coefficient B9.04340e-01
Coefficient C-3.13400e-04
Coefficient D-2.80000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 330.39 J/mol×K 273.00 Calculated Property
Cp,gas 386.90 J/mol×K 353.78 Calculated Property
Cp,gas 438.94 J/mol×K 434.56 Calculated Property
Cp,gas 486.41 J/mol×K 515.33 Calculated Property
Cp,gas 529.22 J/mol×K 596.11 Calculated Property
Cp,gas 567.29 J/mol×K 676.89 Calculated Property
Cp,gas 600.53 J/mol×K 757.67 Calculated Property
Cp,gas 628.85 J/mol×K 838.44 Calculated Property
Cp,gas 652.16 J/mol×K 919.22 Calculated Property
Cp,gas 670.37 J/mol×K 1000.00 Calculated Property

Similar Compounds

1-((1-Butoxypropan-2-yl)oxy)propan-2-yl 2,3,4,5,6-pentafluorobenzoate. 1-Propoxypropan-2-yl 2,3,4,5,6-pentafluorobenzoate. 2-Butoxyethyl 2,3,4,5,6-pentafluorobenzoate. 2-(2-Butoxyethoxy)ethyl 2,3,4,5,6-pentafluorobenzoate. 2-(2-(2-Butoxyethoxy)ethoxy)ethyl 2,3,4,5,6-pentafluorobenzoate. 1-((1-Methoxypropan-2-yl)oxy)propan-2-yl 2,3,4,5,6-pentafluorobenzoate. 1-(tert-Butoxy)propan-2-yl 2,3,4,5,6-pentafluorobenzoate. 1-Butoxypropan-2-yl 4-chlorobenzoate. 1-Butoxypropan-2-yl 3,5-dinitrobenzoate. 1-Butoxypropan-2-yl 2-chlorobenzoate. Pentafluorobenzoic acid, 2-pentyl ester. Pentafluorobenzoic acid, 4-methoxy-2-methylbutyl ester. Diglycolic acid, butyl pentafluorobenzyl ester. 1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-methoxy-2-oxoethyl 2,3,4,5,6-pentafluorobenzoate. Diglycolic acid, hexyl pentafluorobenzyl ester.

Find more compounds similar to 1-Butoxypropan-2-yl 2,3,4,5,6-pentafluorobenzoate.

Sources

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