- InChI
- InChI=1S/C18H15NO/c1-13-6-4-9-15(12-13)18(20)19-17-11-5-8-14-7-2-3-10-16(14)17/h2-12H,1H3,(H,19,20)
- InChI Key
- YORPYFLFOLLPND-UHFFFAOYSA-N
- Formula
- C18H15NO
- SMILES
-
Cc1cccc(C(O)=Nc2cccc3ccccc23)c
1 - Molecular Weight1
- 261.32
- CAS
- 96963-49-4
- Other Names
-
- Benzamide, N-(1-naphthyl)-3-methyl-
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.8015 | Relay (1.0) Calculated Property | |
| ΔfG° | 266.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 61.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 125.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.785 | Crippen Calculated Property | |
| McVol | 209.050 | ml/mol | McGowan Calculated Property |
| Pc | 2318.07 | kPa | Joback Calculated Property |
| Inp | [2603.00; 2603.00] |
|
|
| Inp | 2603.00 | NIST | |
| Inp | 2603.00 | NIST | |
| Tboil | 680.65 | K | Relay (1.0) Calculated Property |
| Tc | 1008.27 | K | Relay (1.0) Calculated Property |
| Tfus | 416.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.753 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-N-naphthalen-1-yl-benzamide.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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