Chemical Properties of 1-Adamantanecarboxamide, N-(2,5-dimethoxyphenyl)-

1-Adamantanecarboxamide, N-(2,5-dimethoxyphenyl)-

InChI
InChI=1S/C19H25NO3/c1-22-15-3-4-17(23-2)16(8-15)20-18(21)19-9-12-5-13(10-19)7-14(6-12)11-19/h3-4,8,12-14H,5-7,9-11H2,1-2H3,(H,20,21)
InChI Key
XIILAZSITCVNCS-UHFFFAOYSA-N
Formula
C19H25NO3
SMILES
COc1ccc(OC)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1
Molecular Weight1
315.41
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Physical Properties

Property Value Unit Source
ΔfH°gas -509.49 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 34.38 kJ/mol Joback Calculated Property
IE 7.85 eV Relay (1.0) Calculated Property
logPoct/wat 3.859 Crippen Calculated Property
McVol 245.520 ml/mol McGowan Calculated Property
Inp [2688.00; 2688.00]   Show Hide
Inp 2688.00 NIST
Inp 2688.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 [327.42; 892.84] 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-1.62440e+02
Coefficient B2.24124e+00
Coefficient C-1.80622e-03
Coefficient D6.20260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 327.42 J/mol×K 273.00 Calculated Property
Cp,gas 431.86 J/mol×K 353.78 Calculated Property
Cp,gas 521.32 J/mol×K 434.56 Calculated Property
Cp,gas 597.76 J/mol×K 515.33 Calculated Property
Cp,gas 663.14 J/mol×K 596.11 Calculated Property
Cp,gas 719.42 J/mol×K 676.89 Calculated Property
Cp,gas 768.58 J/mol×K 757.67 Calculated Property
Cp,gas 812.55 J/mol×K 838.44 Calculated Property
Cp,gas 853.32 J/mol×K 919.22 Calculated Property
Cp,gas 892.84 J/mol×K 1000.00 Calculated Property

Similar Compounds

Cyclohexanecarboxamide, N-(2,5-dimethoxyphenyl)-. Cyclopentanecarboxamide, N-(2,5-dimethoxyphenyl)-. Cyclobutanecarboxamide, N-(2,5-dimethoxyphenyl)-. Octanamide, N-(2,5-dimethoxyphenyl)-. Hexanamide, N-(2,5-dimethoxyphenyl)-. 5'-Chloro-2'-methoxy-2-methylvaleranilide. 1-Adamantanecarboxamide, N-(4-methoxyphenyl)-. Pentanamide, N-(2,5-dimethoxyphenyl)-. Glutaric acid, monoamide, N-(2-methoxyphenyl)-, isohexyl ester. Pentanamide, N-(2,5-dimethoxyphenyl)-5-chloro-. narwedine. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. RTI 23. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Retroisosenine.

Find more compounds similar to 1-Adamantanecarboxamide, N-(2,5-dimethoxyphenyl)-.

Sources

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