- InChI
- InChI=1S/C4H6N4O6/c1-5(7(11)12)3(9)4(10)6(2)8(13)14/h1-2H3
- InChI Key
- DHNCWGKMISNJQG-UHFFFAOYSA-N
- Formula
- C4H6N4O6
- SMILES
-
CN(C(=O)C(=O)N(C)[N+](=O)[O-])
[N+](=O)[O-] - Molecular Weight1
- 206.11
- Other Names
-
- Ethanediamide, N,N'-dimethyl-N,N'-dinitro-
- Oxamide, N,N'-dimethyl-N'-dinitro-
- Ethanediamide, N',N"-dimethyl-N',N"-dinitro-
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 |
|---|---|---|---|
| ΔcH°solid | -2126.20 | kJ/mol | NIST |
| ΔfH°gas | -221.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -305.30 | kJ/mol | NIST |
| ΔfusH° | 38.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.51 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | -1.713 | Crippen Calculated Property | |
| McVol | 125.160 | ml/mol | McGowan Calculated Property |
| Tboil | 509.41 | K | Relay (1.0) Calculated Property |
| Tfus | 418.07 | 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 | [333.01; 369.11] | J/mol×K | [727.22; 968.71] | 
|
| Cp,gas | 333.01 | J/mol×K | 727.22 | Joback Calculated Property |
| Cp,gas | 340.74 | J/mol×K | 767.47 | Joback Calculated Property |
| Cp,gas | 347.72 | J/mol×K | 807.72 | Joback Calculated Property |
| Cp,gas | 353.99 | J/mol×K | 847.97 | Joback Calculated Property |
| Cp,gas | 359.61 | J/mol×K | 888.22 | Joback Calculated Property |
| Cp,gas | 364.64 | J/mol×K | 928.47 | Joback Calculated Property |
| Cp,gas | 369.11 | J/mol×K | 968.71 | Joback Calculated Property |
| ΔfusH | 23.40 | kJ/mol | 397.10 | NIST |
Similar Compounds
Find more compounds similar to ETHANEDIAMIDE, N',N"-DIMETHYL-N',N"-DINITRO-.
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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