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

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

InChI
InChI=1S/C19H32O2/c1-6-8-9-10-11-13-19(20)21-18(15-14-16(3)4)17(5)12-7-2/h17-18H,3,6-13H2,1-2,4-5H3
InChI Key
YTDNGZQHBSSRQN-UHFFFAOYSA-N
Formula
C19H32O2
SMILES
C=C(C)C#CC(OC(=O)CCCCCCC)C(C)CCC
Molecular Weight1
292.46
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Physical Properties

Property Value Unit Source
ΔfH°gas -371.94 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 42.82 kJ/mol Joback Calculated Property
ΔvapH° 87.64 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 5.274 Crippen Calculated Property
McVol 273.110 ml/mol McGowan Calculated Property
Inp 1835.00 NIST
Tboil 555.09 K Relay (1.0) Calculated Property
Tc 754.62 K Relay (1.0) Calculated Property
Tfus 248.95 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 [772.35; 872.46] J/mol×K [697.22; 883.77] Show Hide
Cp,gas 772.35 J/mol×K 697.22 Joback Calculated Property
Cp,gas 791.44 J/mol×K 728.31 Joback Calculated Property
Cp,gas 809.53 J/mol×K 759.40 Joback Calculated Property
Cp,gas 826.64 J/mol×K 790.49 Joback Calculated Property
Cp,gas 842.82 J/mol×K 821.59 Joback Calculated Property
Cp,gas 858.09 J/mol×K 852.68 Joback Calculated Property
Cp,gas 872.46 J/mol×K 883.77 Joback Calculated Property

Similar Compounds

Sebacic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. Hexanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Valeric 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. Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl isobutyl ester. Succinic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. Cylobutanecarboxylic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl 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. Sebacic acid, butyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl hexyl ester. Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl heptyl ester. Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl nonyl ester.

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

Sources

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