Chemical Properties of Sebacic acid, butyl 2,7-dimethylocta-7-en-5-yn-4-yl ester

Sebacic acid, butyl 2,7-dimethylocta-7-en-5-yn-4-yl ester

InChI
InChI=1S/C24H40O4/c1-6-7-18-27-23(25)14-12-10-8-9-11-13-15-24(26)28-22(19-21(4)5)17-16-20(2)3/h21-22H,2,6-15,18-19H2,1,3-5H3
InChI Key
LGOIFMFYBFANRW-UHFFFAOYSA-N
Formula
C24H40O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCCCCCCCC(=O)OCCCC
Molecular Weight1
392.58
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Physical Properties

Property Value Unit Source
ΔfH°gas -789.59 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 60.14 kJ/mol Joback Calculated Property
ΔvapH° 104.89 kJ/mol Relay (1.0) Calculated Property
log10WS -5.70 Relay (1.0) Calculated Property
logPoct/wat 5.988 Crippen Calculated Property
McVol 351.000 ml/mol McGowan Calculated Property
Inp [2549.00; 2549.00]   Show Hide
Inp 2549.00 NIST
Inp 2549.00 NIST
Tboil 622.86 K Relay (1.0) Calculated Property
Tc 805.98 K Relay (1.0) Calculated Property
Tfus 271.49 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 [520.10; 1184.90] 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 A4.34020e+01
Coefficient B2.01618e+00
Coefficient C-1.03206e-03
Coefficient D1.57380e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 520.10 J/mol×K 273.00 Calculated Property
Cp,gas 634.48 J/mol×K 353.78 Calculated Property
Cp,gas 737.57 J/mol×K 434.56 Calculated Property
Cp,gas 829.86 J/mol×K 515.33 Calculated Property
Cp,gas 911.87 J/mol×K 596.11 Calculated Property
Cp,gas 984.07 J/mol×K 676.89 Calculated Property
Cp,gas 1046.98 J/mol×K 757.67 Calculated Property
Cp,gas 1101.09 J/mol×K 838.44 Calculated Property
Cp,gas 1146.90 J/mol×K 919.22 Calculated Property
Cp,gas 1184.90 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl pentyl 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 heptyl 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 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 octyl 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 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 pentadecyl 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 isobutyl ester.

Find more compounds similar to Sebacic acid, butyl 2,7-dimethylocta-7-en-5-yn-4-yl ester.

Sources

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