Chemical Properties of 4-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

4-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI
InChI=1S/C18H21FO2/c1-5-6-14(4)17(12-7-13(2)3)21-18(20)15-8-10-16(19)11-9-15/h8-11,14,17H,2,5-6H2,1,3-4H3
InChI Key
AAVUBKXHJNKXNY-UHFFFAOYSA-N
Formula
C18H21FO2
SMILES
C=C(C)C#CC(OC(=O)c1ccc(F)cc1)C(C)CCC
Molecular Weight1
288.36
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Physical Properties

Property Value Unit Source
ΔfusH° 35.38 kJ/mol Joback Calculated Property
logPoct/wat 4.367 Crippen Calculated Property
McVol 237.030 ml/mol McGowan Calculated Property
Inp [1815.00; 1815.00]   Show Hide
Inp 1815.00 NIST
Inp 1815.00 NIST
Tboil 574.60 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 [648.86; 734.09] J/mol×K [723.14; 938.59] Show Hide
Cp,gas 648.86 J/mol×K 723.14 Joback Calculated Property
Cp,gas 665.65 J/mol×K 759.05 Joback Calculated Property
Cp,gas 681.35 J/mol×K 794.96 Joback Calculated Property
Cp,gas 696.01 J/mol×K 830.87 Joback Calculated Property
Cp,gas 709.66 J/mol×K 866.77 Joback Calculated Property
Cp,gas 722.34 J/mol×K 902.68 Joback Calculated Property
Cp,gas 734.09 J/mol×K 938.59 Joback Calculated Property

Similar Compounds

3-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Cyanobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. 4-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-(Ttifluoromethyl)benzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. p-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ethyl ester. 4-Bromobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2,3,4-trifluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. m-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 3-Trifluoromethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. p-Anisic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester.

Find more compounds similar to 4-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

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