- InChI
- InChI=1S/C18H23NO/c1-12-3-2-4-16(5-12)19-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,19,20)
- InChI Key
- OAAYMOQVJRKBQE-UHFFFAOYSA-N
- Formula
- C18H23NO
- SMILES
-
Cc1cccc(NC(=O)C23CC4CC(CC(C4)C
2)C3)c1 - Molecular Weight1
- 269.38
- 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).
- 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 | 0.5890 | Relay (1.0) Calculated Property | |
| ΔfG° | 320.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -248.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.150 | Crippen Calculated Property | |
| McVol | 219.690 | ml/mol | McGowan Calculated Property |
| Pc | 2210.37 | kPa | Joback Calculated Property |
| Inp | 2418.00 | NIST | |
| Tboil | 654.58 | K | Relay (1.0) Calculated Property |
| Tc | 964.24 | K | Relay (1.0) Calculated Property |
| Tfus | 474.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.800 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [696.48; 811.83] | J/mol×K | [767.00; 1009.44] | 
|
| Cp,gas | 696.48 | J/mol×K | 767.00 | Joback Calculated Property |
| Cp,gas | 716.70 | J/mol×K | 807.41 | Joback Calculated Property |
| Cp,gas | 736.12 | J/mol×K | 847.81 | Joback Calculated Property |
| Cp,gas | 755.06 | J/mol×K | 888.22 | Joback Calculated Property |
| Cp,gas | 773.79 | J/mol×K | 928.63 | Joback Calculated Property |
| Cp,gas | 792.61 | J/mol×K | 969.03 | Joback Calculated Property |
| Cp,gas | 811.83 | J/mol×K | 1009.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Adamantanecarboxamide, N-(3-methylphenyl)-.
Sources
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