- InChI
- InChI=1S/C13H19N3O2/c1-13(2,3)12(15(4)5)14-10-7-6-8-11(9-10)16(17)18/h6-9H,1-5H3/b14-12+
- InChI Key
- ZBRIKZYWUFJPKH-WYMLVPIESA-N
- Formula
- C13H19N3O2
- SMILES
-
CN(C)C(=Nc1cccc([N+](=O)[O-])c
1)C(C)(C)C - Molecular Weight1
- 249.31
- 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 | 0.6629 | Relay (1.0) Calculated Property | |
| ΔfG° | 350.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 37.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 78.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.232 | Crippen Calculated Property | |
| McVol | 203.350 | ml/mol | McGowan Calculated Property |
| Pc | 2027.23 | kPa | Joback Calculated Property |
| Inp | [1984.00; 1984.00] |
|
|
| Inp | 1984.00 | NIST | |
| Inp | 1984.00 | NIST | |
| Tboil | 566.66 | K | Relay (1.0) Calculated Property |
| Tc | 833.56 | K | Relay (1.0) Calculated Property |
| Tfus | 368.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.719 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Dimethyl-N'-(3-nitrophenyl)-pivalamidine.
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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