Chemical Properties of Hexanoic acid, 3,5,5-trimethyl-, hex-4-yn-3-yl ester

Hexanoic acid, 3,5,5-trimethyl-, hex-4-yn-3-yl ester

InChI
InChI=1S/C15H26O2/c1-7-9-13(8-2)17-14(16)10-12(3)11-15(4,5)6/h12-13H,8,10-11H2,1-6H3
InChI Key
PMXBDMXRFMGOQD-UHFFFAOYSA-N
Formula
C15H26O2
SMILES
CC#CC(CC)OC(=O)CC(C)CC(C)(C)C
Molecular Weight1
238.37
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Physical Properties

Property Value Unit Source
ΔfusH° 27.64 kJ/mol Joback Calculated Property
logPoct/wat 3.794 Crippen Calculated Property
McVol 221.050 ml/mol McGowan Calculated Property
Inp 1508.00 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 [577.49; 675.60] J/mol×K [605.91; 803.06] Show Hide
Cp,gas 577.49 J/mol×K 605.91 Joback Calculated Property
Cp,gas 596.30 J/mol×K 638.77 Joback Calculated Property
Cp,gas 614.09 J/mol×K 671.63 Joback Calculated Property
Cp,gas 630.87 J/mol×K 704.48 Joback Calculated Property
Cp,gas 646.70 J/mol×K 737.34 Joback Calculated Property
Cp,gas 661.60 J/mol×K 770.20 Joback Calculated Property
Cp,gas 675.60 J/mol×K 803.06 Joback Calculated Property

Similar Compounds

Glutaric acid, 2-(adamant-1-yl)ethyl hex-4-yn-3-yl ester. Hexanoic acid, 3,5,5-trimethyl-, 2-methyloct-5-en-4-yl ester. 3-Cyclopentylpropionic acid, hex-4-yn-3-yl ester. Glutaric acid, cyclohexylmethyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl 2-ethylhexyl ester. Glutaric acid, hex-4-yn-3-yl 4-methylpent-2-yl ester. Glutaric acid, hex-4-yn-3-yl 2,4,4-trimethylpentyl ester. Glutaric acid, 2-norbornyl hex-4-yn-3-yl ester. Glutaric acid, 1-cyclopentylethyl hex-4-yn-3-yl ester. 3-cyclopentylpropionic acid, 2-methyloct-5-yn-4-yl ester. Octanoic acid, hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl 3-methyl-5-methoxypentyl ester. Octanoic acid, 2-methyloct-5-yn-4-yl ester. Hexanoic acid, 3,5,5-trimethyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Hexanoic acid, 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, hex-4-yn-3-yl ester.

Sources

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