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

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

InChI
InChI=1S/C25H42O4/c1-7-14-22(6)23(18-17-20(2)3)29-25(27)16-13-11-9-8-10-12-15-24(26)28-19-21(4)5/h21-23H,2,7-16,19H2,1,3-6H3
InChI Key
SFXYSQLVMVLFIT-UHFFFAOYSA-N
Formula
C25H42O4
SMILES
C=C(C)C#CC(OC(=O)CCCCCCCCC(=O)OCC(C)C)C(C)CCC
Molecular Weight1
406.61
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Physical Properties

Property Value Unit Source
ΔfH°gas -808.69 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 59.21 kJ/mol Joback Calculated Property
ΔvapH° 106.22 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 6.234 Crippen Calculated Property
McVol 365.090 ml/mol McGowan Calculated Property
Pc 876.88 kPa Joback Calculated Property
Inp [2585.00; 2585.00]   Show Hide
Inp 2585.00 NIST
Inp 2585.00 NIST
Tboil 632.30 K Relay (1.0) Calculated Property
Tc 813.46 K Relay (1.0) Calculated Property
Tfus 281.20 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [1182.21; 1273.68] J/mol×K [892.28; 1093.75] Show Hide
Cp,gas 1182.21 J/mol×K 892.28 Joback Calculated Property
Cp,gas 1200.83 J/mol×K 925.86 Joback Calculated Property
Cp,gas 1218.04 J/mol×K 959.44 Joback Calculated Property
Cp,gas 1233.90 J/mol×K 993.01 Joback Calculated Property
Cp,gas 1248.43 J/mol×K 1026.59 Joback Calculated Property
Cp,gas 1261.68 J/mol×K 1060.17 Joback Calculated Property
Cp,gas 1273.68 J/mol×K 1093.75 Joback Calculated Property

Similar Compounds

Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl 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 heptyl 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 nonyl ester. Sebacic acid, decyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl octyl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl isobutyl ester. Glutaric acid, cyclohexylmethyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester. Sebacic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. Octanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl 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 octyl ester.

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

Sources

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