- InChI
- InChI=1S/C14H13N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-11H,12H2
- InChI Key
- MIYKHJXFICMPOJ-UHFFFAOYSA-N
- Formula
- C14H13N
- SMILES
- C(=NCc1ccccc1)c1ccccc1
- Molecular Weight1
- 195.27
- Other Names
-
- Benzylamine, N-benzylidene-
- Benzylidenebenzylamine
- N-(Phenylmethylene)benzenemethanamine
- N-Benzylidenebenzylamine
- Benzaldehyde N-benzylimine
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 285.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.306 | Crippen Calculated Property | |
| McVol | 166.280 | ml/mol | McGowan Calculated Property |
| Inp | [1761.20; 1817.00] |
|
|
| Inp | 1817.00 | NIST | |
| Inp | 1761.20 | NIST | |
| Tboil | 590.76 | K | Relay (1.0) Calculated Property |
| Tfus | 295.48 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 416.70 | K | 0.70 | NIST |
Similar Compounds
Find more compounds similar to Benzenemethanamine, N-(phenylmethylene)-.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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