Chemical Properties of Valeric acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

Valeric acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

InChI
InChI=1S/C15H24O2/c1-6-7-8-15(16)17-14(11-13(4)5)10-9-12(2)3/h13-14H,2,6-8,11H2,1,3-5H3
InChI Key
KJQMUNADTYHASA-UHFFFAOYSA-N
Formula
C15H24O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCCC
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 -300.70 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.88 kJ/mol Joback Calculated Property
ΔvapH° 71.34 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.714 Crippen Calculated Property
McVol 216.750 ml/mol McGowan Calculated Property
Inp 1503.80 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [559.51; 651.31] J/mol×K [623.57; 819.24] Show Hide
Cp,gas 559.51 J/mol×K 623.57 Joback Calculated Property
Cp,gas 576.89 J/mol×K 656.18 Joback Calculated Property
Cp,gas 593.41 J/mol×K 688.79 Joback Calculated Property
Cp,gas 609.09 J/mol×K 721.40 Joback Calculated Property
Cp,gas 623.95 J/mol×K 754.02 Joback Calculated Property
Cp,gas 638.02 J/mol×K 786.63 Joback Calculated Property
Cp,gas 651.31 J/mol×K 819.24 Joback Calculated Property

Similar Compounds

Butanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Glutaric acid, di(2,7-dimethyloct-5-yn-7-en-4-yl) ester. Hexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Octanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Sebacic acid, di(2,7-dimethylocta-7-en-5-yn-4-yl) ester. Undec-10-ynoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. 5-Bromovaleric acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 5-chlorovaleric acid, 2,7-dimethylocty-7-en-5-yn-4-yl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl propyl ester. Glutaric acid, butyl 2,7-dimethyloct-5-yn-7-en-4-yl ester. 4-Bromobutanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Cyclobutanecarboxylic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl pentyl ester. Sebacic acid, butyl 2,7-dimethylocta-7-en-5-yn-4-yl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl isobutyl ester.

Find more compounds similar to Valeric acid, 2,7-dimethyloct-7-en-5-yn-4-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.