Chemical Properties of 4-Fluorobenzoic acid, 2-methyloct-5-yn-4-yl ester

4-Fluorobenzoic acid, 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C16H19FO2/c1-4-5-6-15(11-12(2)3)19-16(18)13-7-9-14(17)10-8-13/h7-10,12,15H,4,11H2,1-3H3
InChI Key
LIMSVLLCONNNLS-UHFFFAOYSA-N
Formula
C16H19FO2
SMILES
CCC#CC(CC(C)C)OC(=O)c1ccc(F)cc1
Molecular Weight1
262.32
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Physical Properties

Property Value Unit Source
ΔfusH° 32.79 kJ/mol Joback Calculated Property
logPoct/wat 3.811 Crippen Calculated Property
McVol 213.150 ml/mol McGowan Calculated Property
Inp [1685.00; 1685.00]   Show Hide
Inp 1685.00 NIST
Inp 1685.00 NIST
Tboil 552.68 K Relay (1.0) Calculated Property
Tfus 277.69 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, 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 [564.99; 648.90] J/mol×K [680.82; 895.79] Show Hide
Cp,gas 564.99 J/mol×K 680.82 Joback Calculated Property
Cp,gas 581.44 J/mol×K 716.65 Joback Calculated Property
Cp,gas 596.86 J/mol×K 752.48 Joback Calculated Property
Cp,gas 611.29 J/mol×K 788.31 Joback Calculated Property
Cp,gas 624.76 J/mol×K 824.14 Joback Calculated Property
Cp,gas 637.29 J/mol×K 859.96 Joback Calculated Property
Cp,gas 648.90 J/mol×K 895.79 Joback Calculated Property

Similar Compounds

3-fluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 2-Fluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Cyanobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester. 4-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-(Trifluoromethyl)benzoic acid, 2-methyloct-5-yn-4-yl ester. p-Toluic acid, 2-methyloct-5-yn-4-yl ester. 4-Chlorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 3-fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, ethyl 2-methyloct-5-yn-4-yl ester. 3-Trifluoromethylbenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, butyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, isobutyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl propyl ester.

Find more compounds similar to 4-Fluorobenzoic acid, 2-methyloct-5-yn-4-yl ester.

Sources

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