- InChI
- InChI=1S/C4H8N2O2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3/b4-3-
- InChI Key
- JKOVQYWMFZTKMX-ONEGZZNKSA-N
- Formula
- C4H8N2O2
- SMILES
- CN(C)/C=C/[N+](=O)[O-]
- Molecular Weight1
- 116.12
- Other Names
-
- 1-(Dimethylamino)-2-nitroethene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 16.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.70 | kJ/mol | Joback Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.296 | Crippen Calculated Property | |
| McVol | 90.320 | ml/mol | McGowan Calculated Property |
| Tboil | 500.60 | K | Relay (1.0) Calculated Property |
| Tfus | 374.32 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.78; 232.90] | J/mol×K | [459.56; 674.38] | 
|
| Cp,gas | 182.78 | J/mol×K | 459.56 | Joback Calculated Property |
| Cp,gas | 192.66 | J/mol×K | 495.36 | Joback Calculated Property |
| Cp,gas | 201.89 | J/mol×K | 531.17 | Joback Calculated Property |
| Cp,gas | 210.48 | J/mol×K | 566.97 | Joback Calculated Property |
| Cp,gas | 218.49 | J/mol×K | 602.77 | Joback Calculated Property |
| Cp,gas | 225.95 | J/mol×K | 638.58 | Joback Calculated Property |
| Cp,gas | 232.90 | J/mol×K | 674.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Dimethylamino-2-nitroethylene.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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