Chemical Properties of Glutaric acid, monoamide, N-(1-adamantyl)-, isobutyl ester

Glutaric acid, monoamide, N-(1-adamantyl)-, isobutyl ester

InChI
InChI=1S/C19H31NO3/c1-13(2)12-23-18(22)5-3-4-17(21)20-19-9-14-6-15(10-19)8-16(7-14)11-19/h13-16H,3-12H2,1-2H3,(H,20,21)
InChI Key
LPGCDOFLVHWFSH-UHFFFAOYSA-N
Formula
C19H31NO3
SMILES
CC(C)COC(=O)CCCC(=O)NC12CC3CC(CC(C3)C1)C2
Molecular Weight1
321.45
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Physical Properties

Property Value Unit Source
ΔfH°gas -848.42 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.59 kJ/mol Joback Calculated Property
ΔvapH° 102.84 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.441 Crippen Calculated Property
McVol 264.980 ml/mol McGowan Calculated Property
Pc 1567.23 kPa Joback Calculated Property
Inp 2569.00 NIST
Tboil 650.71 K Relay (1.0) Calculated Property
Tc 907.91 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [364.79; 989.09] 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 A-1.84406e+02
Coefficient B2.51664e+00
Coefficient C-2.03970e-03
Coefficient D6.96560e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 364.79 J/mol×K 273.00 Calculated Property
Cp,gas 481.48 J/mol×K 353.78 Calculated Property
Cp,gas 581.20 J/mol×K 434.56 Calculated Property
Cp,gas 666.15 J/mol×K 515.33 Calculated Property
Cp,gas 738.54 J/mol×K 596.11 Calculated Property
Cp,gas 800.56 J/mol×K 676.89 Calculated Property
Cp,gas 854.43 J/mol×K 757.67 Calculated Property
Cp,gas 902.33 J/mol×K 838.44 Calculated Property
Cp,gas 946.49 J/mol×K 919.22 Calculated Property
Cp,gas 989.09 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, monoamide, N-(1-adamantyl)-, propyl ester. Glutaric acid, monoamide, N-(1-adamantyl)-, butyl ester. Glutaric acid, monoamide, N-(1-adamantyl)-, isohexyl ester. Glutaric acid, monoamide, N-(1-adamantyl)-, pentyl ester. Glutaric acid, monoamide, N-(1-adamantyl)-, hexyl ester. Glutaric acid, monoamide, N-(1-adamantyl)-, ethyl ester. Glutaric acid, monoamide, N-(2-octyl)-, isobutyl ester. Glutaric acid, monoamide, N-(3-pentyl)-, isohexyl ester. Glutaric acid, monoamide, N-(2-octyl)-, dodecyl ester. Glutaric acid, monoamide, N-(2-octyl)-, octyl ester. Glutaric acid, monoamide, N-(2-octyl)-, undecyl ester. Glutaric acid, monoamide, N-(2-octyl)-, nonyl ester. Glutaric acid, monoamide, N-(2-octyl)-, tridecyl ester. Glutaric acid, monoamide, N-(2-octyl)-, heptyl ester. Glutaric acid, monoamide, N-(2-octyl)-, hexyl ester.

Find more compounds similar to Glutaric acid, monoamide, N-(1-adamantyl)-, isobutyl ester.

Sources

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