Chemical Properties of Fumaric acid, 2-octyl 2-fluorophenyl ester

Fumaric acid, 2-octyl 2-fluorophenyl ester

InChI
InChI=1S/C18H23FO4/c1-3-4-5-6-9-14(2)22-17(20)12-13-18(21)23-16-11-8-7-10-15(16)19/h7-8,10-14H,3-6,9H2,1-2H3/b13-12+
InChI Key
KDRDHXICWXNTKN-OUKQBFOZSA-N
Formula
C18H23FO4
SMILES
CCCCCCC(C)OC(=O)C=CC(=O)Oc1ccccc1F
Molecular Weight1
322.37
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Physical Properties

Property Value Unit Source
ΔfusH° 44.52 kJ/mol Joback Calculated Property
logPoct/wat 4.189 Crippen Calculated Property
McVol 253.070 ml/mol McGowan Calculated Property
Inp [2162.00; 2162.00]   Show Hide
Inp 2162.00 NIST
Inp 2162.00 NIST
Tboil 590.28 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [732.58; 808.40] J/mol×K [762.53; 959.60] Show Hide
Cp,gas 732.58 J/mol×K 762.53 Joback Calculated Property
Cp,gas 747.79 J/mol×K 795.37 Joback Calculated Property
Cp,gas 761.93 J/mol×K 828.22 Joback Calculated Property
Cp,gas 775.03 J/mol×K 861.06 Joback Calculated Property
Cp,gas 787.12 J/mol×K 893.91 Joback Calculated Property
Cp,gas 798.23 J/mol×K 926.75 Joback Calculated Property
Cp,gas 808.40 J/mol×K 959.60 Joback Calculated Property

Similar Compounds

Fumaric acid, 2-pentyl 2-fluorophenyl ester. Fumaric acid, 4-chlorophenyl hept-2-yl ester. Fumaric acid, 2-octyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2-octyl 3-chlorophenyl ester. Fumaric acid, 4-methoxyphenyl hept-2-yl ester. Fumaric acid, 4-octyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2-chlorophenyl hept-2-yl ester. Fumaric acid, naphth-2-yl hept-2-yl ester. Fumaric acid, naphth-2-yl dec-2-yl ester. Fumaric acid, 4-bromophenyl hept-2-yl ester. Fumaric acid, naphth-1-yl hept-2-yl ester. Fumaric acid, naphth-1-yl dec-2-yl ester. Fumaric acid, 2-methoxyphenyl hept-2-yl ester. Fumaric acid, 2,4-dichlorophenyl hept-2-yl ester. Fumaric acid, 2,4-dichlorophenyl dec-2-yl ester.

Find more compounds similar to Fumaric acid, 2-octyl 2-fluorophenyl ester.

Sources

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