Chemical Properties of 3-Fluorobenzoic acid, oct-3-en-2-yl ester

3-Fluorobenzoic acid, oct-3-en-2-yl ester

InChI
InChI=1S/C15H19FO2/c1-3-4-5-6-8-12(2)18-15(17)13-9-7-10-14(16)11-13/h6-12H,3-5H2,1-2H3/b8-6+
InChI Key
QXBXJYCAVCJNTO-SOFGYWHQSA-N
Formula
C15H19FO2
SMILES
CCCCC=CC(C)OC(=O)c1cccc(F)c1
Molecular Weight1
250.31
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Physical Properties

Property Value Unit Source
ΔfusH° 30.80 kJ/mol Joback Calculated Property
IE 9.03 eV Relay (1.0) Calculated Property
logPoct/wat 4.117 Crippen Calculated Property
McVol 203.360 ml/mol McGowan Calculated Property
Inp 1665.60 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [533.01; 614.33] J/mol×K [653.54; 854.55] Show Hide
Cp,gas 533.01 J/mol×K 653.54 Joback Calculated Property
Cp,gas 548.73 J/mol×K 687.04 Joback Calculated Property
Cp,gas 563.54 J/mol×K 720.54 Joback Calculated Property
Cp,gas 577.46 J/mol×K 754.05 Joback Calculated Property
Cp,gas 590.55 J/mol×K 787.55 Joback Calculated Property
Cp,gas 602.83 J/mol×K 821.05 Joback Calculated Property
Cp,gas 614.33 J/mol×K 854.55 Joback Calculated Property

Similar Compounds

2-Fluorobenzoic acid, oct-3-en-2-yl ester. 4-Fluorobenzoic acid. oct-3-en-2-yl ester. 2,3,4-Trifluorobenzoic acid, oct-3-en-2-yl ester. Isophthalic acid, di(oct-3-en-2-yl) ester. 4-Cyanobenzoic acid, oct-3-en-2-yl ester. 4-Chlorobenzoic acid, oct-3-en-2-yl ester. 3-Fluorobenzoic acid, undec-2-enyl ester. p-Toluic acid, oct-3-en-2-yl ester. 4-(Trifluoromethyl)benzoic acid, oct-3-en-2-yl ester. Isophthalic acid, oct-3-en-2-yl propyl ester. 3-Bromobenzoic acid, oct-3-en-2-yl ester. p-Anisic acid, oct-3-en-2-yl ester. Isophthalic acid, butyl oct-3-en-2-yl ester. 2,6-Difluorobenzoic acid, oct-3-en-2-yl ester. m-anisic acid, oct-3-en-2-yl ester.

Find more compounds similar to 3-Fluorobenzoic acid, oct-3-en-2-yl ester.

Sources

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