Chemical Properties of Hexanoic acid, 3,5,5-trimethyl-, tridec-2-yn-1-yl ester

Hexanoic acid, 3,5,5-trimethyl-, tridec-2-yn-1-yl ester

InChI
InChI=1S/C22H40O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-21(23)18-20(2)19-22(3,4)5/h20H,6-14,17-19H2,1-5H3
InChI Key
OYXBAGBKRSEBOW-UHFFFAOYSA-N
Formula
C22H40O2
SMILES
CCCCCCCCCCC#CCOC(=O)CC(C)CC(C)(C)C
Molecular Weight1
336.56
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Physical Properties

Property Value Unit Source
ΔfusH° 49.29 kJ/mol Joback Calculated Property
logPoct/wat 6.526 Crippen Calculated Property
McVol 319.680 ml/mol McGowan Calculated Property
Inp [2267.00; 2267.00]   Show Hide
Inp 2267.00 NIST
Inp 2267.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 [976.37; 1081.91] J/mol×K [766.51; 952.53] Show Hide
Cp,gas 976.37 J/mol×K 766.51 Joback Calculated Property
Cp,gas 996.59 J/mol×K 797.51 Joback Calculated Property
Cp,gas 1015.70 J/mol×K 828.52 Joback Calculated Property
Cp,gas 1033.75 J/mol×K 859.52 Joback Calculated Property
Cp,gas 1050.77 J/mol×K 890.53 Joback Calculated Property
Cp,gas 1066.81 J/mol×K 921.53 Joback Calculated Property
Cp,gas 1081.91 J/mol×K 952.53 Joback Calculated Property

Similar Compounds

3-cyclopentylpropionic acid, tridec-2-ynyl ester. Glutaric acid, tridec-2-yn-1-yl 3,7-dimethyloctyl ester. Glutaric acid, 2-(cyclohexyl)ethyl tridec-2-yn-1-yl ester. Glutaric acid, tridec-2-yn-1-yl 2,4,4-trimethylpentyl ester. Glutaric acid, 3-methylbutyl tridec-2-yn-1-yl ester. Sebacic acid, isohexyl tridec-2-ynyl ester. Glutaric acid, tridec-2-yn-1-yl 3-methyl-5-methoxypentyl ester. Glutaric acid, tridec-2-yn-1-yl 2-ethylhexyl ester. Glutaric acid, isohexyl tridec-2-ynyl ester. Hexanoic acid, 3,5,5-trimethyl-, 2-methyloct-5-en-4-yl ester. Octanoic acid, tridec-2-ynyl ester. Hexanoic acid, tridec-2-ynyl ester. Succinic acid, tridec-2-yn-1-yl 3-methylpentyl ester. Glutaric acid, tridec-2-yn-1-yl 4-methylpent-2-yl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylpentyl ester.

Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, tridec-2-yn-1-yl ester.

Sources

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