- InChI
- InChI=1S/C13H12N2O/c16-14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
- InChI Key
- BCIBCBXFXGKGBL-UHFFFAOYSA-N
- Formula
- C13H12N2O
- SMILES
- O=NN(Cc1ccccc1)c1ccccc1
- Molecular Weight1
- 212.25
- CAS
- 612-98-6
- Other Names
-
- Benzylamine, N-nitroso-N-phenyl-
- Benzylphenylnitrosamine
- N-Benzyl-N-nitrosoaniline
- N-Phenyl-N-nitrosobenzylamine
- N-Nitrosophenylbenzylamine
- N-Nitroso-N-phenyl-benzylamine
- 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).
- 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 | 0.6516 | Relay (1.0) Calculated Property | |
| ΔfG° | 400.00 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 315.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.375 | Crippen Calculated Property | |
| McVol | 168.040 | ml/mol | McGowan Calculated Property |
| Pc | 3005.73 | kPa | Joback Calculated Property |
| Tboil | 597.55 | K | Relay (1.0) Calculated Property |
| Tc | 871.90 | K | Relay (1.0) Calculated Property |
| Tfus | 337.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.627 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Phenol, 4-[(phenylmethyl)amino]-.](data:image/png;base64,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)
Find more compounds similar to Benzenemethanamine, N-nitroso-N-phenyl-.
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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