Chemical Properties of Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl tetradecyl ester

Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl tetradecyl ester

InChI
InChI=1S/C29H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-23-32-28(30)19-18-20-29(31)33-27(24-26(4)5)22-21-25(2)3/h26-27H,2,6-20,23-24H2,1,3-5H3
InChI Key
ZHZHXNTZLZZDPT-UHFFFAOYSA-N
Formula
C29H50O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCCC(=O)OCCCCCCCCCCCCCC
Molecular Weight1
462.71
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Physical Properties

Property Value Unit Source
ΔfH°gas -895.88 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 73.09 kJ/mol Joback Calculated Property
ΔvapH° 123.65 kJ/mol Relay (1.0) Calculated Property
log10WS -7.34 Relay (1.0) Calculated Property
logPoct/wat 7.938 Crippen Calculated Property
McVol 421.450 ml/mol McGowan Calculated Property
Inp 3071.00 NIST
Tboil 664.38 K Relay (1.0) Calculated Property
Tc 847.10 K Relay (1.0) Calculated Property
Tfus 294.06 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 [626.17; 1442.86] 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 A3.88570e+01
Coefficient B2.49118e+00
Coefficient C-1.30406e-03
Coefficient D2.16880e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 626.17 J/mol×K 273.00 Calculated Property
Cp,gas 766.57 J/mol×K 353.78 Calculated Property
Cp,gas 892.95 J/mol×K 434.56 Calculated Property
Cp,gas 1006.01 J/mol×K 515.33 Calculated Property
Cp,gas 1106.42 J/mol×K 596.11 Calculated Property
Cp,gas 1194.88 J/mol×K 676.89 Calculated Property
Cp,gas 1272.06 J/mol×K 757.67 Calculated Property
Cp,gas 1338.67 J/mol×K 838.44 Calculated Property
Cp,gas 1395.37 J/mol×K 919.22 Calculated Property
Cp,gas 1442.86 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl tridecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl dodecyl 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 heptadecyl 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 pentadecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl nonyl 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 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 hexyl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl pentyl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl heptyl ester. Sebacic acid, butyl 2,7-dimethylocta-7-en-5-yn-4-yl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl pentyl ester.

Find more compounds similar to Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl tetradecyl ester.

Sources

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