Chemical Properties of Glutaric acid, hex-4-yn-3-yl hexadecyl ester

Glutaric acid, hex-4-yn-3-yl hexadecyl ester

InChI
InChI=1S/C27H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-24-30-26(28)22-20-23-27(29)31-25(6-3)21-5-2/h25H,4,6-20,22-24H2,1-3H3
InChI Key
LCIWRDHFJUWLMB-UHFFFAOYSA-N
Formula
C27H48O4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)OCCCCCCCCCCCCCCCC
Molecular Weight1
436.68
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Physical Properties

Property Value Unit Source
ΔfH°gas -944.88 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 74.02 kJ/mol Joback Calculated Property
ΔvapH° 123.73 kJ/mol Relay (1.0) Calculated Property
log10WS -7.20 Relay (1.0) Calculated Property
logPoct/wat 7.526 Crippen Calculated Property
McVol 397.570 ml/mol McGowan Calculated Property
Pc 758.07 kPa Joback Calculated Property
Inp 3072.00 NIST
Tboil 653.59 K Relay (1.0) Calculated Property
Tc 848.62 K Relay (1.0) Calculated Property
Tfus 317.55 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [593.72; 1367.92] 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 A4.50390e+01
Coefficient B2.31536e+00
Coefficient C-1.16686e-03
Coefficient D1.74380e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 593.72 J/mol×K 273.00 Calculated Property
Cp,gas 725.84 J/mol×K 353.78 Calculated Property
Cp,gas 845.15 J/mol×K 434.56 Calculated Property
Cp,gas 952.20 J/mol×K 515.33 Calculated Property
Cp,gas 1047.55 J/mol×K 596.11 Calculated Property
Cp,gas 1131.73 J/mol×K 676.89 Calculated Property
Cp,gas 1205.31 J/mol×K 757.67 Calculated Property
Cp,gas 1268.83 J/mol×K 838.44 Calculated Property
Cp,gas 1322.85 J/mol×K 919.22 Calculated Property
Cp,gas 1367.92 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, hex-4-yn-3-yl pentadecyl ester. Glutaric acid, heptadecyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl tridecyl ester. Glutaric acid, hex-4-yn-3-yl tetradecyl ester. Glutaric acid, decyl hex-4-yn-3-yl ester. Glutaric acid, dodecyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl nonyl ester. Glutaric acid, hex-4-yn-3-yl undecyl ester. Glutaric acid, hex-4-yn-3-yl octyl ester. Glutaric acid, hex-4-yn-3-yl octadecyl ester. Glutaric acid, heptyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl hexyl ester. Sebacic acid, hex-4-yn-3-yl nonyl ester. Sebacic acid, hex-4-yn-3-yl undecyl ester. Sebacic acid, decyl hex-4-yn-3-yl ester.

Find more compounds similar to Glutaric acid, hex-4-yn-3-yl hexadecyl ester.

Sources

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