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

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

InChI
InChI=1S/C18H30O2/c1-6-7-8-9-10-11-18(19)20-17(14-16(4)5)13-12-15(2)3/h16-17H,2,6-11,14H2,1,3-5H3
InChI Key
GDLMJDWMTXRVLS-UHFFFAOYSA-N
Formula
C18H30O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCCCCCC
Molecular Weight1
278.43
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 -366.94 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 40.23 kJ/mol Joback Calculated Property
ΔvapH° 82.81 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.884 Crippen Calculated Property
McVol 259.020 ml/mol McGowan Calculated Property
Inp [1753.00; 1753.00]   Show Hide
Inp 1753.00 NIST
Inp 1753.00 NIST
Tboil 539.89 K Relay (1.0) Calculated Property
Tc 739.61 K Relay (1.0) Calculated Property
Tfus 250.62 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [376.48; 867.25] 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 A2.34470e+01
Coefficient B1.50098e+00
Coefficient C-8.00260e-04
Coefficient D1.43080e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 376.48 J/mol×K 273.00 Calculated Property
Cp,gas 460.64 J/mol×K 353.78 Calculated Property
Cp,gas 536.33 J/mol×K 434.56 Calculated Property
Cp,gas 604.01 J/mol×K 515.33 Calculated Property
Cp,gas 664.13 J/mol×K 596.11 Calculated Property
Cp,gas 717.16 J/mol×K 676.89 Calculated Property
Cp,gas 763.53 J/mol×K 757.67 Calculated Property
Cp,gas 803.70 J/mol×K 838.44 Calculated Property
Cp,gas 838.12 J/mol×K 919.22 Calculated Property
Cp,gas 867.25 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sebacic acid, di(2,7-dimethylocta-7-en-5-yn-4-yl) ester. Hexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Undec-10-ynoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Valeric acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Sebacic acid, butyl 2,7-dimethylocta-7-en-5-yn-4-yl ester. Glutaric acid, di(2,7-dimethyloct-5-yn-7-en-4-yl) ester. Butanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl pentyl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl heptyl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl hexyl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl isobutyl ester. 6-Bromohexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl 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 tetradecyl ester. Glutaric acid, decyl 2,7-dimethyloct-5-yn-7-en-4-yl ester.

Find more compounds similar to Octanoic 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.
These property values are available through the Cheméo API. A free account gives you an access key.