- InChI
- InChI=1S/C18H23NO2/c1-21-16-4-2-15(3-5-16)19-17(20)18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3,(H,19,20)
- InChI Key
- DOMQVXNITFPQNL-UHFFFAOYSA-N
- Formula
- C18H23NO2
- SMILES
-
COc1ccc(NC(=O)C23CC4CC(CC(C4)C
2)C3)cc1 - Molecular Weight1
- 285.38
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6557 | Relay (... Calculated Property | |
| ΔfG° | 215.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -355.59 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.07 | kJ/mol | Relay (... Calculated Property |
| IE | 7.81 | eV | Relay (... Calculated Property |
| log10WS | -5.07 | Relay (... Calculated Property | |
| logPoct/wat | 3.850 | Crippen Calculated Property | |
| McVol | 225.560 | ml/mol | McGowan Calculated Property |
| Pc | 2175.46 | kPa | Joback Calculated Property |
| Tboil | 671.84 | K | Relay (... Calculated Property |
| Tc | 974.69 | K | Relay (... Calculated Property |
| Tfus | 502.77 | K | Relay (... Calculated Property |
| Vc | 0.817 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [725.64; 839.39] | J/mol×K | [789.42; 1028.47] | 
|
| Cp,gas | 725.64 | J/mol×K | 789.42 | Joback Calculated Property |
| Cp,gas | 745.46 | J/mol×K | 829.26 | Joback Calculated Property |
| Cp,gas | 764.58 | J/mol×K | 869.10 | Joback Calculated Property |
| Cp,gas | 783.28 | J/mol×K | 908.95 | Joback Calculated Property |
| Cp,gas | 801.81 | J/mol×K | 948.79 | Joback Calculated Property |
| Cp,gas | 820.42 | J/mol×K | 988.63 | Joback Calculated Property |
| Cp,gas | 839.39 | J/mol×K | 1028.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Adamantanecarboxamide, N-(4-methoxyphenyl)-.
Sources
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