Chemical Properties of Pentadecafluorooctanoic acid, 3-methylbut-2-yl ester

Pentadecafluorooctanoic acid, 3-methylbut-2-yl ester

InChI
InChI=1S/C13H11F15O2/c1-4(2)5(3)30-6(29)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h4-5H,1-3H3
InChI Key
IHUFQUGUZNPEEO-UHFFFAOYSA-N
Formula
C13H11F15O2
SMILES
CC(C)C(C)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
484.20
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Physical Properties

Property Value Unit Source
ΔfusH° 21.05 kJ/mol Joback Calculated Property
logPoct/wat 5.948 Crippen Calculated Property
McVol 228.020 ml/mol McGowan Calculated Property
Inp [972.00; 972.00]   Show Hide
Inp 972.00 NIST
Inp 972.00 NIST
Tboil 461.86 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, Ionization energy, 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 [409.73; 815.53] 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-6.68300e+01
Coefficient B2.25346e+00
Coefficient C-2.04380e-03
Coefficient D6.72700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 409.73 J/mol×K 273.00 Calculated Property
Cp,gas 504.38 J/mol×K 353.78 Calculated Property
Cp,gas 581.68 J/mol×K 434.56 Calculated Property
Cp,gas 643.75 J/mol×K 515.33 Calculated Property
Cp,gas 692.72 J/mol×K 596.11 Calculated Property
Cp,gas 730.72 J/mol×K 676.89 Calculated Property
Cp,gas 759.87 J/mol×K 757.67 Calculated Property
Cp,gas 782.30 J/mol×K 838.44 Calculated Property
Cp,gas 800.15 J/mol×K 919.22 Calculated Property
Cp,gas 815.53 J/mol×K 1000.00 Calculated Property

Similar Compounds

Pentadecafluorooctanoic acid, 2-methylpent-3-yl ester. Pentadecafluorooctanoic acid, 4-methyl-2-pentyl ester. Pentadecafluorooctanoic acid, pent-2-yl ester. Pentadecafluorooctanoic acid, dec-2-yl ester. 2,4-Dimethyl-3-pentanol, heptafluorobutyrate. Heptadecafluorononanoic acid, isobutyl ester. Pentadecafluorooctanoic acid, isobutyl ester. 2-Methyl-3-hexanol, heptafluorobutyrate. Heptadecafluorononanoic acid, isohexyl ester. Pentadecafluorooctanoic acid, 2-ethylhexyl ester. Pentadecafluorooctanoic acid, cyclohexylmethyl ester. Pentadecafluorooctanoic acid, hex-4-yn-3-yl ester. Pentadecafluorooctanoic acid, 2-methyloct-5-en-4-yl ester. 1-Ethyl-2-heptafluorobutyryloxycyclohexane. Pentadecafluorooctanoic acid, butyl ester.

Find more compounds similar to Pentadecafluorooctanoic acid, 3-methylbut-2-yl ester.

Sources

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