- InChI
- InChI=1S/C21H23NO/c23-20(21-11-14-8-15(12-21)10-16(9-14)13-21)22-19-7-3-5-17-4-1-2-6-18(17)19/h1-7,14-16H,8-13H2,(H,22,23)
- InChI Key
- RJZASJFLYAWUDU-UHFFFAOYSA-N
- Formula
- C21H23NO
- SMILES
-
O=C(Nc1cccc2ccccc12)C12CC3CC(C
C(C3)C1)C2 - Molecular Weight1
- 305.41
- CAS
- 121768-37-4
- Other Names
-
- 1-Adamantanecarboxamide, N-(1-naphthyl)-
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6424 | Relay (... Calculated Property | |
| ΔfG° | 452.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.42 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.36 | kJ/mol | Relay (... Calculated Property |
| IE | 7.89 | eV | Relay (... Calculated Property |
| log10WS | -5.67 | Relay (... Calculated Property | |
| logPoct/wat | 4.995 | Crippen Calculated Property | |
| McVol | 242.500 | ml/mol | McGowan Calculated Property |
| Pc | 2123.64 | kPa | Joback Calculated Property |
| Inp | 2941.00 | NIST | |
| Tboil | 710.25 | K | Relay (... Calculated Property |
| Tc | 1059.21 | K | Relay (... Calculated Property |
| Tfus | 495.94 | K | Relay (... Calculated Property |
| Vc | 0.894 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [799.41; 930.54] | J/mol×K | [854.62; 1108.38] | 
|
| Cp,gas | 799.41 | J/mol×K | 854.62 | Joback Calculated Property |
| Cp,gas | 820.21 | J/mol×K | 896.91 | Joback Calculated Property |
| Cp,gas | 840.91 | J/mol×K | 939.21 | Joback Calculated Property |
| Cp,gas | 861.91 | J/mol×K | 981.50 | Joback Calculated Property |
| Cp,gas | 883.58 | J/mol×K | 1023.79 | Joback Calculated Property |
| Cp,gas | 906.33 | J/mol×K | 1066.09 | Joback Calculated Property |
| Cp,gas | 930.54 | J/mol×K | 1108.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adamantane-1-carboxamide, N-(1-naphthyl)-.
Sources
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