- InChI
- InChI=1S/C16H18N2/c1-18(2)16(15-11-7-4-8-12-15)17-13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3/b17-16+
- InChI Key
- GDWZMNCEOPPGNI-WUKNDPDISA-N
- Formula
- C16H18N2
- SMILES
- CN(C)C(=NCc1ccccc1)c1ccccc1
- Molecular Weight1
- 238.33
- 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 | 0.5840 | Relay (1.0) Calculated Property | |
| ΔfG° | 429.83 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 265.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.195 | Crippen Calculated Property | |
| McVol | 204.440 | ml/mol | McGowan Calculated Property |
| Pc | 2077.43 | kPa | Joback Calculated Property |
| Inp | [1943.00; 1943.00] |
|
|
| Inp | 1943.00 | NIST | |
| Inp | 1943.00 | NIST | |
| Tboil | 621.92 | K | Relay (1.0) Calculated Property |
| Tc | 856.61 | K | Relay (1.0) Calculated Property |
| Tfus | 329.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.746 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Dimethyl-N'-benzyl-benzamidine.
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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