Chemical Properties of Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl heptyl ester

Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl heptyl ester

InChI
InChI=1S/C28H48O4/c1-6-8-9-14-17-23-31-27(29)19-15-12-10-11-13-16-20-28(30)32-26(22-21-24(3)4)25(5)18-7-2/h25-26H,3,6-20,23H2,1-2,4-5H3
InChI Key
ATFDHOVOYGVREB-UHFFFAOYSA-N
Formula
C28H48O4
SMILES
C=C(C)C#CC(OC(=O)CCCCCCCCC(=O)OCCCCCCC)C(C)CCC
Molecular Weight1
448.68
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Physical Properties

Property Value Unit Source
ΔfusH° 70.50 kJ/mol Joback Calculated Property
ΔvapH° 118.81 kJ/mol Relay (1.0) Calculated Property
log10WS -6.78 Relay (1.0) Calculated Property
logPoct/wat 7.548 Crippen Calculated Property
McVol 407.360 ml/mol McGowan Calculated Property
Inp [2912.00; 2912.00]   Show Hide
Inp 2912.00 NIST
Inp 2912.00 NIST
Tboil 654.93 K Relay (1.0) Calculated Property
Tc 840.40 K Relay (1.0) Calculated Property
Tfus 280.41 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 [1370.53; 1463.56] J/mol×K [961.36; 1178.48] Show Hide
Cp,gas 1370.53 J/mol×K 961.36 Joback Calculated Property
Cp,gas 1390.01 J/mol×K 997.55 Joback Calculated Property
Cp,gas 1407.82 J/mol×K 1033.73 Joback Calculated Property
Cp,gas 1424.02 J/mol×K 1069.92 Joback Calculated Property
Cp,gas 1438.67 J/mol×K 1106.11 Joback Calculated Property
Cp,gas 1451.83 J/mol×K 1142.29 Joback Calculated Property
Cp,gas 1463.56 J/mol×K 1178.48 Joback Calculated Property

Similar Compounds

Sebacic acid, decyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl hexyl ester. Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl octyl ester. Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl nonyl ester. Sebacic acid, butyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl pentyl ester. Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl undecyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl tridecyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl octyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl dodecyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl hexadecyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl nonyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl pentadecyl ester. Glutaric acid, decyl 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Find more compounds similar to Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl heptyl ester.

Sources

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