- 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
- 195.26
- CAS
- 780-25-6
- Other Names
-
- Benzylamine, N-benzylidene-
- Benzylidenebenzylamine
- N-(Phenylmethylene)benzenemethanamine
- N-Benzylidenebenzylamine
- Benzaldehyde N-benzylimine
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4974 | Relay (1.0) Calculated Property | |
| ΔfG° | 353.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 285.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 80.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.306 | Crippen Calculated Property | |
| McVol | 166.280 | ml/mol | McGowan Calculated Property |
| Pc | 2487.55 | kPa | Joback Calculated Property |
| Inp | [1761.20; 1817.00] |
|
|
| Inp | 1817.00 | NIST | |
| Inp | 1761.20 | NIST | |
| Tboil | 590.76 | K | Relay (1.0) Calculated Property |
| Tc | 838.08 | K | Relay (1.0) Calculated Property |
| Tfus | 298.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.611 | m3/kmol | Relay (1.0) Calculated Property |
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
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