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

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

InChI
InChI=1S/C19H30O4/c1-14(2)10-11-17(12-15(3)4)23-19(21)9-7-8-18(20)22-13-16(5)6/h15-17H,1,7-9,12-13H2,2-6H3
InChI Key
QSNUCIJDHPHWLB-UHFFFAOYSA-N
Formula
C19H30O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCCC(=O)OCC(C)C
Molecular Weight1
322.44
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 -699.19 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 40.50 kJ/mol Joback Calculated Property
ΔvapH° 86.23 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.893 Crippen Calculated Property
McVol 280.550 ml/mol McGowan Calculated Property
Pc 1352.64 kPa Joback Calculated Property
Inp 2042.00 NIST
Tboil 578.59 K Relay (1.0) Calculated Property
Tc 762.08 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 [835.19; 922.63] J/mol×K [790.94; 989.34] Show Hide
Cp,gas 835.19 J/mol×K 790.94 Joback Calculated Property
Cp,gas 852.36 J/mol×K 824.01 Joback Calculated Property
Cp,gas 868.47 J/mol×K 857.07 Joback Calculated Property
Cp,gas 883.53 J/mol×K 890.14 Joback Calculated Property
Cp,gas 897.56 J/mol×K 923.21 Joback Calculated Property
Cp,gas 910.59 J/mol×K 956.27 Joback Calculated Property
Cp,gas 922.63 J/mol×K 989.34 Joback Calculated Property

Similar Compounds

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. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl isobutyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl pentyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl isohexyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl heptyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl hexyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl nonyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl octyl ester. Glutaric acid, decyl 2,7-dimethyloct-5-yn-7-en-4-yl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl tridecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl heptadecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl hexadecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl dodecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl pentadecyl ester.

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