Chemical Properties of Hexanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

Hexanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI
InChI=1S/C17H28O2/c1-6-8-9-11-17(18)19-16(13-12-14(3)4)15(5)10-7-2/h15-16H,3,6-11H2,1-2,4-5H3
InChI Key
SJABPZWVTDJILC-UHFFFAOYSA-N
Formula
C17H28O2
SMILES
C=C(C)C#CC(OC(=O)CCCCC)C(C)CCC
Molecular Weight1
264.41
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Physical Properties

Property Value Unit Source
ΔfH°gas -327.28 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 36.06 kJ/mol Joback Calculated Property
ΔvapH° 81.21 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.494 Crippen Calculated Property
McVol 244.930 ml/mol McGowan Calculated Property
Inp [1649.00; 1649.00]   Show Hide
Inp 1649.00 NIST
Inp 1649.00 NIST
Tboil 529.60 K Relay (1.0) Calculated Property
Tc 731.76 K Relay (1.0) Calculated Property
Tfus 238.66 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, 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 [667.40; 763.46] J/mol×K [669.33; 860.81] Show Hide
Cp,gas 667.40 J/mol×K 669.33 Joback Calculated Property
Cp,gas 685.61 J/mol×K 701.24 Joback Calculated Property
Cp,gas 702.92 J/mol×K 733.16 Joback Calculated Property
Cp,gas 719.33 J/mol×K 765.07 Joback Calculated Property
Cp,gas 734.87 J/mol×K 796.98 Joback Calculated Property
Cp,gas 749.57 J/mol×K 828.89 Joback Calculated Property
Cp,gas 763.46 J/mol×K 860.81 Joback Calculated Property

Similar Compounds

Valeric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Sebacic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. Octanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Butanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. Succinic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl isobutyl ester. Cylobutanecarboxylic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, 3-methylbut-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, but-3-yn-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, 2-methylpent-3-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester. 6-Bromohexanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 5-Bromovaleric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 5-chlorovaleric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Find more compounds similar to Hexanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

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