- InChI
- InChI=1S/C12H17N3O2/c1-9(2)12(14(3)4)13-10-5-7-11(8-6-10)15(16)17/h5-9H,1-4H3/b13-12+
- InChI Key
- ORPMAAUFXHHLID-OUKQBFOZSA-N
- Formula
- C12H17N3O2
- SMILES
-
CC(C)C(=Nc1ccc([N+](=O)[O-])cc
1)N(C)C - Molecular Weight1
- 235.28
- 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 | 0.6676 | Relay (1.0) Calculated Property | |
| ΔfG° | 335.71 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 55.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.842 | Crippen Calculated Property | |
| McVol | 189.260 | ml/mol | McGowan Calculated Property |
| Pc | 2191.78 | kPa | Joback Calculated Property |
| Inp | [2107.00; 2107.00] |
|
|
| Inp | 2107.00 | NIST | |
| Inp | 2107.00 | NIST | |
| Tboil | 567.06 | K | Relay (1.0) Calculated Property |
| Tc | 824.25 | K | Relay (1.0) Calculated Property |
| Tfus | 428.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.666 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Dimethyl-N'-(4-nitrophenyl)-isobutyramidine.
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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