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

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

InChI
InChI=1S/C21H28O2/c1-6-7-8-18-10-12-19(13-11-18)21(22)23-20(15-17(4)5)14-9-16(2)3/h10-13,17,20H,2,6-8,15H2,1,3-5H3
InChI Key
BYVYECTVTQCHMT-UHFFFAOYSA-N
Formula
C21H28O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1ccc(CCCC)cc1
Molecular Weight1
312.45
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Physical Properties

Property Value Unit Source
ΔfusH° 40.07 kJ/mol Joback Calculated Property
logPoct/wat 5.180 Crippen Calculated Property
McVol 277.530 ml/mol McGowan Calculated Property
Inp [2202.60; 2202.60]   Show Hide
Inp 2202.60 NIST
Inp 2202.60 NIST
Tfus 289.17 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [810.81; 902.53] J/mol×K [792.51; 1007.83] Show Hide
Cp,gas 810.81 J/mol×K 792.51 Joback Calculated Property
Cp,gas 828.92 J/mol×K 828.40 Joback Calculated Property
Cp,gas 845.84 J/mol×K 864.28 Joback Calculated Property
Cp,gas 861.61 J/mol×K 900.17 Joback Calculated Property
Cp,gas 876.29 J/mol×K 936.05 Joback Calculated Property
Cp,gas 889.91 J/mol×K 971.94 Joback Calculated Property
Cp,gas 902.53 J/mol×K 1007.83 Joback Calculated Property

Similar Compounds

4-butylbenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Butylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Ethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Ethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Ethylbenzoic acid, 2-methyloct-5-yn-4-yl ester. 3-Ethoxycarbonyl-17-oxaestra-1,3,5(10)-trien-16-one. ETHYL 2-(METHYLAMINO)-1-PHENYL-3-CYCLOHEXENE-1-CARBOXYLATE. Calacorene oxide. Quinine. Quinidine. L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester. Cinchonan-9-ol, 10,11-dihydro-6'-methoxy-, (8«alpha»,9R)-. Hydroquinidine. 1-Methyl-4-piperidyl cyclopentylphenylglycolate. Cyclopentyl-hydroxy-phenyl-acetic acid 1-methyl-pyrrolidin-3-yl ester.

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

Sources

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