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

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

InChI
InChI=1S/C15H24O2/c1-6-8-13(5)14(11-10-12(3)4)17-15(16)9-7-2/h13-14H,3,6-9H2,1-2,4-5H3
InChI Key
WDNQNIPOFVRVLL-UHFFFAOYSA-N
Formula
C15H24O2
SMILES
C=C(C)C#CC(OC(=O)CCC)C(C)CCC
Molecular Weight1
236.35
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfH°gas -280.28 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 32.46 kJ/mol Joback Calculated Property
ΔvapH° 76.86 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.714 Crippen Calculated Property
McVol 216.750 ml/mol McGowan Calculated Property
Inp 1472.00 NIST
Tboil 500.97 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [312.84; 712.47] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.61740e+01
Coefficient B1.21598e+00
Coefficient C-6.37060e-04
Coefficient D1.07380e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 312.84 J/mol×K 273.00 Calculated Property
Cp,gas 381.38 J/mol×K 353.78 Calculated Property
Cp,gas 443.10 J/mol×K 434.56 Calculated Property
Cp,gas 498.32 J/mol×K 515.33 Calculated Property
Cp,gas 547.40 J/mol×K 596.11 Calculated Property
Cp,gas 590.67 J/mol×K 676.89 Calculated Property
Cp,gas 628.48 J/mol×K 757.67 Calculated Property
Cp,gas 661.15 J/mol×K 838.44 Calculated Property
Cp,gas 689.04 J/mol×K 919.22 Calculated Property
Cp,gas 712.47 J/mol×K 1000.00 Calculated Property

Similar Compounds

Valeric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Hexanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Octanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Sebacic acid, di(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. 4-Bromobutanoic acid, 2,6-dimethylnon-1-en-3--yn-5-yl ester. Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl isobutyl ester. Glutaric acid, 3-methylbut-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Cylobutanecarboxylic acid, 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, 2,6-dimethylnon-1-en-3-yn-5-yl isobutyl ester. Glutaric acid, 2-methylpent-3-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ethyl ester. 5-Bromovaleric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.