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

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

InChI
InChI=1S/C22H36O4/c1-6-7-8-9-10-16-25-21(23)12-11-13-22(24)26-20(17-19(4)5)15-14-18(2)3/h19-20H,2,6-13,16-17H2,1,3-5H3
InChI Key
ITEUKWQQCAGRRG-UHFFFAOYSA-N
Formula
C22H36O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCCC(=O)OCCCCCCC
Molecular Weight1
364.53
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Physical Properties

Property Value Unit Source
ΔfH°gas -746.30 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 54.96 kJ/mol Joback Calculated Property
ΔvapH° 97.04 kJ/mol Relay (1.0) Calculated Property
log10WS -5.16 Relay (1.0) Calculated Property
logPoct/wat 5.208 Crippen Calculated Property
McVol 322.820 ml/mol McGowan Calculated Property
Inp [2370.00; 2370.00]   Show Hide
Inp 2370.00 NIST
Inp 2370.00 NIST
Tboil 611.49 K Relay (1.0) Calculated Property
Tc 791.80 K Relay (1.0) Calculated Property
Tfus 270.74 K Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [477.68; 1081.72] 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 A4.52200e+01
Coefficient B1.82618e+00
Coefficient C-9.23260e-04
Coefficient D1.33580e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 477.68 J/mol×K 273.00 Calculated Property
Cp,gas 581.64 J/mol×K 353.78 Calculated Property
Cp,gas 675.41 J/mol×K 434.56 Calculated Property
Cp,gas 759.40 J/mol×K 515.33 Calculated Property
Cp,gas 834.04 J/mol×K 596.11 Calculated Property
Cp,gas 899.75 J/mol×K 676.89 Calculated Property
Cp,gas 956.95 J/mol×K 757.67 Calculated Property
Cp,gas 1006.06 J/mol×K 838.44 Calculated Property
Cp,gas 1047.51 J/mol×K 919.22 Calculated Property
Cp,gas 1081.72 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl dodecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl tridecyl 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 pentadecyl 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 octyl 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 nonyl 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 hexyl 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. 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.

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

Sources

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