Chemical Properties of 4-Fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

4-Fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

InChI
InChI=1S/C17H19FO2/c1-12(2)5-10-16(11-13(3)4)20-17(19)14-6-8-15(18)9-7-14/h6-9,13,16H,1,11H2,2-4H3
InChI Key
ZDNZUKKILKMULF-UHFFFAOYSA-N
Formula
C17H19FO2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1ccc(F)cc1
Molecular Weight1
274.33
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Physical Properties

Property Value Unit Source
ΔfusH° 32.79 kJ/mol Joback Calculated Property
logPoct/wat 3.977 Crippen Calculated Property
McVol 222.940 ml/mol McGowan Calculated Property
Inp [1733.00; 1733.00]   Show Hide
Inp 1733.00 NIST
Inp 1733.00 NIST
Tboil 558.00 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 [594.55; 678.11] J/mol×K [700.26; 919.03] Show Hide
Cp,gas 594.55 J/mol×K 700.26 Joback Calculated Property
Cp,gas 611.02 J/mol×K 736.72 Joback Calculated Property
Cp,gas 626.43 J/mol×K 773.18 Joback Calculated Property
Cp,gas 640.81 J/mol×K 809.64 Joback Calculated Property
Cp,gas 654.19 J/mol×K 846.11 Joback Calculated Property
Cp,gas 666.61 J/mol×K 882.57 Joback Calculated Property
Cp,gas 678.11 J/mol×K 919.03 Joback Calculated Property

Similar Compounds

3-fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 2-Fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Fluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Cyanobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Bromobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, di(2,7-dimethyloct-7-en-5-yn-4-yl) ester. 4-Chlorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-(Trifluoromethyl)benzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ethyl ester. 2-Chlorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 3-fluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. p-Anisic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 2,3,4-Trifluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 3-Trifluoromethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 1-Naphthoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Find more compounds similar to 4-Fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Sources

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