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

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

InChI
InChI=1S/C31H54O4/c1-6-8-9-10-11-14-17-20-26-34-30(32)22-18-15-12-13-16-19-23-31(33)35-29(25-24-27(3)4)28(5)21-7-2/h28-29H,3,6-23,26H2,1-2,4-5H3
InChI Key
AVGORLYEPAVZME-UHFFFAOYSA-N
Formula
C31H54O4
SMILES
C=C(C)C#CC(OC(=O)CCCCCCCCC(=O)OCCCCCCCCCC)C(C)CCC
Molecular Weight1
490.77
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Physical Properties

Property Value Unit Source
ΔfusH° 75.11 kJ/mol Joback Calculated Property
ΔvapH° 130.41 kJ/mol Relay (1.0) Calculated Property
log10WS -7.71 Relay (1.0) Calculated Property
logPoct/wat 8.719 Crippen Calculated Property
McVol 449.630 ml/mol McGowan Calculated Property
Inp [3211.00; 3211.00]   Show Hide
Inp 3211.00 NIST
Inp 3211.00 NIST
Tboil 675.18 K Relay (1.0) Calculated Property
Tc 860.15 K Relay (1.0) Calculated Property
Tfus 288.40 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 [1581.92; 1678.60] J/mol×K [1065.94; 1321.98] Show Hide
Cp,gas 1581.92 J/mol×K 1065.94 Joback Calculated Property
Cp,gas 1603.03 J/mol×K 1108.61 Joback Calculated Property
Cp,gas 1621.99 J/mol×K 1151.29 Joback Calculated Property
Cp,gas 1638.93 J/mol×K 1193.96 Joback Calculated Property
Cp,gas 1653.94 J/mol×K 1236.63 Joback Calculated Property
Cp,gas 1667.12 J/mol×K 1279.31 Joback Calculated Property
Cp,gas 1678.60 J/mol×K 1321.98 Joback Calculated Property

Similar Compounds

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 heptyl 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, decyl 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

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