- InChI
- InChI=1S/C21H18N2/c1-4-10-18(11-5-1)16-22-21(20-14-8-3-9-15-20)23-17-19-12-6-2-7-13-19/h1-17,21H
- InChI Key
- VUYRFIIFTJICNA-UHFFFAOYSA-N
- Formula
- C21H18N2
- SMILES
-
C(=NC(N=Cc1ccccc1)c1ccccc1)c1c
cccc1 - Molecular Weight1
- 298.38
- CAS
- 92-29-5
- Other Names
-
- Toluene-«alpha»,«alpha»-diamine, N,N'-dibenzylidene-
- Hydrobenzamide
- N,N'-Dibenzylidenetoluene-«alpha»,«alpha»-diamine
- «alpha»,«alpha»-Bis(benzylidenimino)toluene
- 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 | 0.6004 | Relay (1.0) Calculated Property | |
| ΔfG° | 542.25 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 415.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 107.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.923 | Crippen Calculated Property | |
| McVol | 246.830 | ml/mol | McGowan Calculated Property |
| Pc | 1675.53 | kPa | Joback Calculated Property |
| Tboil | 656.59 | K | Relay (1.0) Calculated Property |
| Tc | 985.96 | K | Relay (1.0) Calculated Property |
| Tfus | 365.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.863 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methanediamine, 1-phenyl-N,N'-bis(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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