- InChI
- InChI=1S/C2H6N4O2/c1-4-2(3)5-6(7)8/h1H3,(H3,3,4,5)
- InChI Key
- XCXKNNGWSDYMMS-UHFFFAOYSA-N
- Formula
- C2H6N4O2
- SMILES
- CNC(N)=N[N+](=O)[O-]
- Molecular Weight1
- 118.09
- CAS
- 4245-76-5
- Other Names
-
- 1-Methyl-3-nitroguanidine
- Guanidine, N-methyl-N'-nitro-
- Guanidine, 1-methyl-3-nitro-
- N-methyl-N''-nitroguanidine
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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 | 0.6471 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -1576.00 | kJ/mol | NIST |
| ΔfG° | 302.68 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 34.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | -1.288 | Crippen Calculated Property | |
| McVol | 82.100 | ml/mol | McGowan Calculated Property |
| Pc | 4903.92 | kPa | Joback Calculated Property |
| Tboil | 470.85 | K | Relay (1.0) Calculated Property |
| Tc | 700.44 | K | Relay (1.0) Calculated Property |
| Tfus | 393.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.300 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-Methyl-N'-nitroguanidine.
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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