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

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

InChI
InChI=1S/C20H32O4/c1-6-7-8-14-23-19(21)10-9-11-20(22)24-18(15-17(4)5)13-12-16(2)3/h17-18H,2,6-11,14-15H2,1,3-5H3
InChI Key
VEDKOCWYYNZXCY-UHFFFAOYSA-N
Formula
C20H32O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCCC(=O)OCCCCC
Molecular Weight1
336.47
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 -704.36 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 46.62 kJ/mol Joback Calculated Property
ΔvapH° 90.44 kJ/mol Relay (1.0) Calculated Property
log10WS -4.46 Relay (1.0) Calculated Property
logPoct/wat 4.428 Crippen Calculated Property
McVol 294.640 ml/mol McGowan Calculated Property
Inp 2174.00 NIST
Tboil 591.99 K Relay (1.0) Calculated Property
Tfus 265.12 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [893.47; 981.18] J/mol×K [814.26; 1010.65] Show Hide
Cp,gas 893.47 J/mol×K 814.26 Joback Calculated Property
Cp,gas 910.69 J/mol×K 846.99 Joback Calculated Property
Cp,gas 926.85 J/mol×K 879.72 Joback Calculated Property
Cp,gas 941.96 J/mol×K 912.46 Joback Calculated Property
Cp,gas 956.04 J/mol×K 945.19 Joback Calculated Property
Cp,gas 969.10 J/mol×K 977.92 Joback Calculated Property
Cp,gas 981.18 J/mol×K 1010.65 Joback Calculated Property

Similar Compounds

Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl isohexyl ester. Glutaric acid, butyl 2,7-dimethyloct-5-yn-7-en-4-yl 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 heptyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl tetradecyl 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 octyl 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 pentadecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl nonyl 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 dodecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl propyl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl heptyl ester.

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