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

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

InChI
InChI=1S/C18H24O2/c1-5-6-12-17(13-14(2)3)20-18(19)15(4)16-10-8-7-9-11-16/h7-11,14-15,17H,5,13H2,1-4H3
InChI Key
HXVNSFXUARBLNQ-UHFFFAOYSA-N
Formula
C18H24O2
SMILES
CCC#CC(CC(C)C)OC(=O)C(C)c1ccccc1
Molecular Weight1
272.39
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Physical Properties

Property Value Unit Source
ΔfusH° 33.34 kJ/mol Joback Calculated Property
ΔvapH° 80.49 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.161 Crippen Calculated Property
McVol 239.560 ml/mol McGowan Calculated Property
Inp [1793.00; 1793.00]   Show Hide
Inp 1793.00 NIST
Inp 1793.00 NIST
Tboil 558.32 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, 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 [660.77; 754.44] J/mol×K [704.02; 922.55] Show Hide
Cp,gas 660.77 J/mol×K 704.02 Joback Calculated Property
Cp,gas 679.41 J/mol×K 740.44 Joback Calculated Property
Cp,gas 696.78 J/mol×K 776.86 Joback Calculated Property
Cp,gas 712.93 J/mol×K 813.29 Joback Calculated Property
Cp,gas 727.89 J/mol×K 849.71 Joback Calculated Property
Cp,gas 741.71 J/mol×K 886.13 Joback Calculated Property
Cp,gas 754.44 J/mol×K 922.55 Joback Calculated Property

Similar Compounds

Hydratropic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Butyric acid, 2-phenyl-, 2-methyloct-5-yn-4-yl ester. Butyric acid, 2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Hydratropic acid, hex-4-yn-3-yl ester. Butyric acid, 2-phenyl-, 4-methyl-2-pentyl ester. Phenylacetic acid, 2-methyloct-5-yn-4-yl ester. Butyric acid, 2-phenyl-, hex-4-yn-3-yl ester. Butyric acid, 2-phenyl-, 2-methylpent-3-yl ester. Benzeneacetic acid, 4-chloro-, 2-methyloct-5-yn-4-yl ester. Butyric acid, 2-phenyl-, pent-2-yl ester. Butyric acid, 2-phenyl-, hept-2-yl ester. Butyric acid, 2-phenyl-, dec-2-yl ester. Butyric acid, 2-phenyl-, 2-ethylhexyl ester. phenylacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Di-(2-ethylbutyl)-2,5-diphenyl adipate.

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

Sources

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