- InChI
- InChI=1S/C16H17N3O3/c1-18(2)16(12-4-10-15(22-3)11-5-12)17-13-6-8-14(9-7-13)19(20)21/h4-11H,1-3H3
- InChI Key
- WSHIPLOMOABJNS-UHFFFAOYSA-N
- Formula
- C16H17N3O3
- SMILES
-
COc1ccc(C(=Nc2ccc([N+](=O)[O-]
)cc2)N(C)C)cc1 - Molecular Weight1
- 299.32
- 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 | 0.8102 | Relay (1.0) Calculated Property | |
| ΔfG° | 364.97 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 83.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.243 | Crippen Calculated Property | |
| McVol | 227.730 | ml/mol | McGowan Calculated Property |
| Pc | 2012.70 | kPa | Joback Calculated Property |
| Inp | 2610.00 | NIST | |
| Tboil | 656.16 | K | Relay (1.0) Calculated Property |
| Tc | 943.93 | K | Relay (1.0) Calculated Property |
| Tfus | 440.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.803 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Dimethyl-N'-(4-nitrophenyl)-p-methoxybenzamidine.
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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