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

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

InChI
InChI=1S/C20H28O2/c1-5-7-9-17-11-13-18(14-12-17)20(21)22-19(10-8-6-2)15-16(3)4/h11-14,16,19H,5-7,9,15H2,1-4H3
InChI Key
MHZZLZDIBWJACG-UHFFFAOYSA-N
Formula
C20H28O2
SMILES
CCC#CC(CC(C)C)OC(=O)c1ccc(CCCC)cc1
Molecular Weight1
300.44
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Physical Properties

Property Value Unit Source
ΔfusH° 40.07 kJ/mol Joback Calculated Property
logPoct/wat 5.014 Crippen Calculated Property
McVol 267.740 ml/mol McGowan Calculated Property
Inp 2160.30 NIST
Tfus 262.39 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 [779.37; 871.91] J/mol×K [773.07; 984.92] Show Hide
Cp,gas 779.37 J/mol×K 773.07 Joback Calculated Property
Cp,gas 797.60 J/mol×K 808.38 Joback Calculated Property
Cp,gas 814.65 J/mol×K 843.69 Joback Calculated Property
Cp,gas 830.57 J/mol×K 878.99 Joback Calculated Property
Cp,gas 845.40 J/mol×K 914.30 Joback Calculated Property
Cp,gas 859.17 J/mol×K 949.61 Joback Calculated Property
Cp,gas 871.91 J/mol×K 984.92 Joback Calculated Property

Similar Compounds

4-butylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Ethylbenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Butylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-butylbenzoic acid, hex-4-yn-3-yl ester. 4-Ethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Butylbenzoic acid, 2-adamantyl ester. 4-Butylbenzoic acid, 3-tridecyl ester. 4-Butylbenzoic acid, 3-pentadecyl ester. 4-Butylbenzoic acid, 3-tetradecyl ester. 4-Butylbenzoic acid, 4-tridecyl ester. 4-Butylbenzoic acid, 4-pentadecyl ester. 4-Butylbenzoic acid, 5-tridecyl ester. 4-Butylbenzoic acid, 5-tetradecyl ester. 4-Butylbenzoic acid, 4-hexadecyl ester. 4-Butylbenzoic acid, 4-tetradecyl ester.

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

Sources

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