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

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

InChI
InChI=1S/C30H52O4/c1-6-8-9-10-13-16-19-25-33-29(31)21-17-14-11-12-15-18-22-30(32)34-28(24-23-26(3)4)27(5)20-7-2/h27-28H,3,6-22,25H2,1-2,4-5H3
InChI Key
ZWICGRZLBUZRES-UHFFFAOYSA-N
Formula
C30H52O4
SMILES
C=C(C)C#CC(OC(=O)CCCCCCCCC(=O)OCCCCCCCCC)C(C)CCC
Molecular Weight1
476.73
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Physical Properties

Property Value Unit Source
ΔfusH° 75.68 kJ/mol Joback Calculated Property
ΔvapH° 126.51 kJ/mol Relay (1.0) Calculated Property
log10WS -7.40 Relay (1.0) Calculated Property
logPoct/wat 8.329 Crippen Calculated Property
McVol 435.540 ml/mol McGowan Calculated Property
Inp [3115.00; 3115.00]   Show Hide
Inp 3115.00 NIST
Inp 3115.00 NIST
Tboil 668.50 K Relay (1.0) Calculated Property
Tc 853.68 K Relay (1.0) Calculated Property
Tfus 285.86 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [647.39; 1494.45] 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 A3.79480e+01
Coefficient B2.58618e+00
Coefficient C-1.35846e-03
Coefficient D2.28780e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 647.39 J/mol×K 273.00 Calculated Property
Cp,gas 792.99 J/mol×K 353.78 Calculated Property
Cp,gas 924.03 J/mol×K 434.56 Calculated Property
Cp,gas 1041.24 J/mol×K 515.33 Calculated Property
Cp,gas 1145.33 J/mol×K 596.11 Calculated Property
Cp,gas 1237.04 J/mol×K 676.89 Calculated Property
Cp,gas 1317.08 J/mol×K 757.67 Calculated Property
Cp,gas 1386.18 J/mol×K 838.44 Calculated Property
Cp,gas 1445.06 J/mol×K 919.22 Calculated Property
Cp,gas 1494.45 J/mol×K 1000.00 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, 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, 2,6-dimethylnon-1-en-3-yn-5-yl nonyl ester.

Sources

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