- InChI
- InChI=1S/CH3N3O4/c1-2(3(5)6)4(7)8/h1H3
- InChI Key
- AAIWMHUUYNFKAM-UHFFFAOYSA-N
- Formula
- CH3N3O4
- SMILES
- CN([N+](=O)[O-])[N+](=O)[O-]
- Molecular Weight1
- 121.05
- CAS
- 25346-05-8
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔcH°solid | -823.80 ± 0.70 | kJ/mol | NIST |
| ΔfG° | 139.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [43.10; 53.50] | kJ/mol |
|
| ΔfH°gas | 43.10 ± 6.30 | kJ/mol | NIST |
| ΔfH°gas | 53.50 ± 0.80 | kJ/mol | NIST |
| ΔfH°liquid | 1.70 ± 0.80 | kJ/mol | NIST |
| ΔfH°solid | 1.50 ± 0.70 | kJ/mol | NIST |
| ΔfusH° | 24.09 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 52.00 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 41.40 ± 5.40 | kJ/mol | NIST |
| log10WS | -0.96 | Crippen Calculated Property | |
| logPoct/wat | -0.698 | Crippen Calculated Property | |
| McVol | 69.770 | ml/mol | McGowan Calculated Property |
| Pc | 5990.66 | kPa | Joback Calculated Property |
| Tboil | 538.40 | K | Joback Calculated Property |
| Tc | 786.86 | K | Joback Calculated Property |
| Tfus | 420.72 | K | Joback Calculated Property |
| Vc | 0.274 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.34; 185.99] | J/mol×K | [538.40; 786.86] |
|
| Cp,gas | 154.34 | J/mol×K | 538.40 | Joback Calculated Property |
| Cp,gas | 160.92 | J/mol×K | 579.81 | Joback Calculated Property |
| Cp,gas | 166.93 | J/mol×K | 621.22 | Joback Calculated Property |
| Cp,gas | 172.41 | J/mol×K | 662.63 | Joback Calculated Property |
| Cp,gas | 177.39 | J/mol×K | 704.04 | Joback Calculated Property |
| Cp,gas | 181.91 | J/mol×K | 745.45 | Joback Calculated Property |
| Cp,gas | 185.99 | J/mol×K | 786.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyldinitramine.
Sources
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