Chemical Properties of Pentadecafluorooctanoic acid, 4-benzyloxyphenyl ester

Pentadecafluorooctanoic acid, 4-benzyloxyphenyl ester

InChI
InChI=1S/C21H11F15O3/c22-15(23,14(37)39-13-8-6-12(7-9-13)38-10-11-4-2-1-3-5-11)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)36/h1-9H,10H2
InChI Key
KUVCRZQYGASDAZ-UHFFFAOYSA-N
Formula
C21H11F15O3
SMILES
O=C(Oc1ccc(OCc2ccccc2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
596.29
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Physical Properties

Property Value Unit Source
ΔfusH° 36.12 kJ/mol Joback Calculated Property
IE 8.81 eV Relay (1.0) Calculated Property
logPoct/wat 7.545 Crippen Calculated Property
McVol 299.090 ml/mol McGowan Calculated Property
Inp 1863.00 NIST
Tboil 646.47 K Relay (1.0) Calculated Property
Tfus 348.88 K Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [947.27; 1002.13] J/mol×K [803.37; 988.19] Show Hide
Cp,gas 947.27 J/mol×K 803.37 Joback Calculated Property
Cp,gas 958.29 J/mol×K 834.17 Joback Calculated Property
Cp,gas 968.39 J/mol×K 864.98 Joback Calculated Property
Cp,gas 977.70 J/mol×K 895.78 Joback Calculated Property
Cp,gas 986.34 J/mol×K 926.58 Joback Calculated Property
Cp,gas 994.44 J/mol×K 957.38 Joback Calculated Property
Cp,gas 1002.13 J/mol×K 988.19 Joback Calculated Property

Similar Compounds

Heptafluorobutyric acid, 4-benzyloxyphenyl ester. Pentafluoropropanoic acid, 4-benzyloxyphenyl ester. Pentadecafluorooctanoic acid, 3-methylphenyl ester. 3-Hydroxybenzyl alcohol, bis(heptafluorobutyrate). Nonanoic acid, 4-benzyloxyphenyl ester. Octanoic acid, 4-benzyloxyphenyl ester. 4-Hydroxy-3-methoxybenzyl alcohol, bis(heptafluorobutyrate). Cyclobutanecarboxylic acid, 4-benzyloxyphenyl ester. Cyclopentanecarboxylic acid, 4-benzyloxyphenyl ester. 3-Hydroxy-4-methoxybenzyl alcohol, di(heptafluorobutyrate). Valeric acid, 4-benzyloxyphenyl ester. 1-Adamantanecarboxylic acid , 4-benzyloxyphenyl ester. 3-Heptafluorobutyryloxy-4-methoxybenzyl alcohol, O-pentafluoropropionyl-. 2-Methylvaleric acid, 4-benzyloxyphenyl ester. 3-Cyclopentylpropionic acid, 4-benzyloxyphenyl ester.

Find more compounds similar to Pentadecafluorooctanoic acid, 4-benzyloxyphenyl ester.

Sources

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