Chemical Properties of Pentadecafluorooctanoic acid, hex-4-yn-3-yl ester

Pentadecafluorooctanoic acid, hex-4-yn-3-yl ester

InChI
InChI=1S/C14H9F15O2/c1-3-5-6(4-2)31-7(30)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h6H,4H2,1-2H3
InChI Key
WIUXGCBDNKBVII-UHFFFAOYSA-N
Formula
C14H9F15O2
SMILES
CC#CC(CC)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
494.19
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Physical Properties

Property Value Unit Source
ΔfusH° 30.29 kJ/mol Joback Calculated Property
logPoct/wat 5.706 Crippen Calculated Property
McVol 233.510 ml/mol McGowan Calculated Property
Inp [1079.00; 1079.00]   Show Hide
Inp 1079.00 NIST
Inp 1079.00 NIST
Tboil 472.02 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 [414.36; 805.46] 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-4.84990e+01
Coefficient B2.19274e+00
Coefficient C-2.00286e-03
Coefficient D6.64080e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 414.36 J/mol×K 273.00 Calculated Property
Cp,gas 505.97 J/mol×K 353.78 Calculated Property
Cp,gas 580.65 J/mol×K 434.56 Calculated Property
Cp,gas 640.48 J/mol×K 515.33 Calculated Property
Cp,gas 687.57 J/mol×K 596.11 Calculated Property
Cp,gas 724.03 J/mol×K 676.89 Calculated Property
Cp,gas 751.95 J/mol×K 757.67 Calculated Property
Cp,gas 773.42 J/mol×K 838.44 Calculated Property
Cp,gas 790.56 J/mol×K 919.22 Calculated Property
Cp,gas 805.46 J/mol×K 1000.00 Calculated Property

Similar Compounds

Pentadecafluorooctanoic acid, 2-methyloct-5-en-4-yl ester. Pentadecafluorooctanoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Pentadecafluorooctanoic acid, pent-2-yl ester. Pentadecafluorooctanoic acid, dec-2-yl ester. Pentadecafluorooctanoic acid, 2-methylpent-3-yl ester. Pentadecafluorooctanoic acid, 3-methylbut-2-yl ester. Succinic acid, hex-4-yn-3-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Pentadecafluorooctanoic acid, 4-methyl-2-pentyl ester. Pentadecafluorooctanoic acid, butyl ester. Heptadecafluorononanoic acid, butyl ester. Pentadecafluorooctanoic acid, pentyl ester. Heptadecafluorononanoic acid, pentyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl hex-4-yn-3-yl ester. Butyl perfluoroheptanoate. Pentyl perfluoroheptanoate.

Find more compounds similar to Pentadecafluorooctanoic acid, hex-4-yn-3-yl ester.

Sources

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