- InChI
- InChI=1S/C3H5N3O2/c1-5(3-2-4)6(7)8/h3H2,1H3
- InChI Key
- MOXABXZIUXZMCH-UHFFFAOYSA-N
- Formula
- C3H5N3O2
- SMILES
- CN(CC#N)[N+](=O)[O-]
- Molecular Weight1
- 115.09
- CAS
- 20661-61-4
- 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).
- ΔvapH° : Enthalpy of vaporization 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 | 129.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.07 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | -0.367 | Crippen Calculated Property | |
| McVol | 81.910 | ml/mol | McGowan Calculated Property |
| Tboil | 517.12 | K | Relay (1.0) Calculated Property |
| Tfus | 365.96 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 | [176.78; 211.95] | J/mol×K | [534.40; 761.60] | 
|
| Cp,gas | 176.78 | J/mol×K | 534.40 | Joback Calculated Property |
| Cp,gas | 183.78 | J/mol×K | 572.27 | Joback Calculated Property |
| Cp,gas | 190.29 | J/mol×K | 610.13 | Joback Calculated Property |
| Cp,gas | 196.34 | J/mol×K | 648.00 | Joback Calculated Property |
| Cp,gas | 201.95 | J/mol×K | 685.87 | Joback Calculated Property |
| Cp,gas | 207.14 | J/mol×K | 723.73 | Joback Calculated Property |
| Cp,gas | 211.95 | J/mol×K | 761.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-methyl-n-nitro amino acetonitrile.
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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