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

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

InChI
InChI=1S/C21H35NO3/c1-15(2)5-4-8-25-20(24)7-3-6-19(23)22-21-12-16-9-17(13-21)11-18(10-16)14-21/h15-18H,3-14H2,1-2H3,(H,22,23)
InChI Key
LATJHADXTYAOIH-UHFFFAOYSA-N
Formula
C21H35NO3
SMILES
CC(C)CCCOC(=O)CCCC(=O)NC12CC3CC(CC(C3)C1)C2
Molecular Weight1
349.51
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Physical Properties

Property Value Unit Source
ΔfH°gas -894.01 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 44.77 kJ/mol Joback Calculated Property
ΔvapH° 110.12 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.221 Crippen Calculated Property
McVol 293.160 ml/mol McGowan Calculated Property
Inp 2774.00 NIST
Tboil 665.14 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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 [407.22; 1092.28] 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-1.86224e+02
Coefficient B2.70664e+00
Coefficient C-2.14850e-03
Coefficient D7.20360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 407.22 J/mol×K 273.00 Calculated Property
Cp,gas 534.32 J/mol×K 353.78 Calculated Property
Cp,gas 643.36 J/mol×K 434.56 Calculated Property
Cp,gas 736.61 J/mol×K 515.33 Calculated Property
Cp,gas 816.36 J/mol×K 596.11 Calculated Property
Cp,gas 884.88 J/mol×K 676.89 Calculated Property
Cp,gas 944.46 J/mol×K 757.67 Calculated Property
Cp,gas 997.36 J/mol×K 838.44 Calculated Property
Cp,gas 1045.88 J/mol×K 919.22 Calculated Property
Cp,gas 1092.28 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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