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

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

InChI
InChI=1S/C30H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-24-33-29(31)20-19-21-30(32)34-28(25-27(4)5)23-22-26(2)3/h27-28H,2,6-21,24-25H2,1,3-5H3
InChI Key
RCHKNFNBVSNEBW-UHFFFAOYSA-N
Formula
C30H52O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCCC(=O)OCCCCCCCCCCCCCCC
Molecular Weight1
476.74
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Physical Properties

Property Value Unit Source
ΔfH°gas -917.17 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 75.68 kJ/mol Joback Calculated Property
ΔvapH° 127.52 kJ/mol Relay (1.0) Calculated Property
log10WS -7.66 Relay (1.0) Calculated Property
logPoct/wat 8.329 Crippen Calculated Property
McVol 435.540 ml/mol McGowan Calculated Property
Inp [3174.00; 3174.00]   Show Hide
Inp 3174.00 NIST
Inp 3174.00 NIST
Tboil 671.17 K Relay (1.0) Calculated Property
Tc 853.68 K Relay (1.0) Calculated Property
Tfus 296.64 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 [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

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 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 tetradecyl 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 pentadecyl ester.

Sources

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