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

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

InChI
InChI=1S/C25H42O4/c1-6-7-8-9-10-11-12-13-19-28-24(26)15-14-16-25(27)29-23(20-22(4)5)18-17-21(2)3/h22-23H,2,6-16,19-20H2,1,3-5H3
InChI Key
IBDJMDLTASVGKY-UHFFFAOYSA-N
Formula
C25H42O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCCC(=O)OCCCCCCCCCC
Molecular Weight1
406.61
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Physical Properties

Property Value Unit Source
ΔfH°gas -810.36 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 62.73 kJ/mol Joback Calculated Property
ΔvapH° 108.17 kJ/mol Relay (1.0) Calculated Property
log10WS -6.12 Relay (1.0) Calculated Property
logPoct/wat 6.378 Crippen Calculated Property
McVol 365.090 ml/mol McGowan Calculated Property
Inp [2667.00; 2667.00]   Show Hide
Inp 2667.00 NIST
Inp 2667.00 NIST
Tboil 636.02 K Relay (1.0) Calculated Property
Tc 817.85 K Relay (1.0) Calculated Property
Tfus 281.07 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 [541.32; 1236.49] 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 A4.24930e+01
Coefficient B2.11118e+00
Coefficient C-1.08646e-03
Coefficient D1.69280e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 541.32 J/mol×K 273.00 Calculated Property
Cp,gas 660.90 J/mol×K 353.78 Calculated Property
Cp,gas 768.64 J/mol×K 434.56 Calculated Property
Cp,gas 865.09 J/mol×K 515.33 Calculated Property
Cp,gas 950.78 J/mol×K 596.11 Calculated Property
Cp,gas 1026.23 J/mol×K 676.89 Calculated Property
Cp,gas 1092.00 J/mol×K 757.67 Calculated Property
Cp,gas 1148.61 J/mol×K 838.44 Calculated Property
Cp,gas 1196.59 J/mol×K 919.22 Calculated Property
Cp,gas 1236.49 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl tridecyl 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 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 pentadecyl 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, 2,7-dimethyloct-5-yn-7-en-4-yl tetradecyl 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. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-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, butyl 2,7-dimethylocta-7-en-5-yn-4-yl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl pentyl ester.

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

Sources

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