- InChI
- InChI=1S/C16H17N3O2/c1-12-7-9-13(10-8-12)16(18(2)3)17-14-5-4-6-15(11-14)19(20)21/h4-11H,1-3H3
- InChI Key
- YYCMUEFRWIKHAC-UHFFFAOYSA-N
- Formula
- C16H17N3O2
- SMILES
-
Cc1ccc(C(=Nc2cccc([N+](=O)[O-]
)c2)N(C)C)cc1 - Molecular Weight1
- 283.33
- 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 | 0.7466 | Relay (1.0) Calculated Property | |
| ΔfG° | 433.79 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 192.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.543 | Crippen Calculated Property | |
| McVol | 221.860 | ml/mol | McGowan Calculated Property |
| Pc | 2043.76 | kPa | Joback Calculated Property |
| Inp | 2341.00 | NIST | |
| Tboil | 641.88 | K | Relay (1.0) Calculated Property |
| Tc | 940.10 | K | Relay (1.0) Calculated Property |
| Tfus | 410.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.787 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Dimethyl-N'-(3-nitrophenyl)-p-methylbenzamidine.
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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