- InChI
- InChI=1S/CH2N2O6/c4-2(5)8-1-9-3(6)7/h1H2
- InChI Key
- MKQRTTJKPCAWRP-UHFFFAOYSA-N
- Formula
- CH2N2O6
- SMILES
- O=[N+]([O-])OCO[N+](=O)[O-]
- Molecular Weight1
- 138.04
- CAS
- 38483-28-2
- ΔcH°liquid : Standard liquid 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).
- ΔfusH° : Enthalpy of fusion 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°liquid | -575.70 | kJ/mol | NIST |
| ΔfG° | -181.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -349.93 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | 93.30 | kJ/mol | NIST |
| ΔfusH° | 23.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.82 | kJ/mol | Joback Calculated Property |
| log10WS | -1.06 | Crippen Calculated Property | |
| logPoct/wat | -0.640 | Crippen Calculated Property | |
| McVol | 71.530 | ml/mol | McGowan Calculated Property |
| Pc | 5704.58 | kPa | Joback Calculated Property |
| Tboil | 570.80 | K | Joback Calculated Property |
| Tc | 816.09 | K | Joback Calculated Property |
| Tfus | 432.71 | K | Joback Calculated Property |
| Vc | 0.291 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.02; 188.99] | J/mol×K | [570.80; 816.09] | 
|
| Cp,gas | 160.02 | J/mol×K | 570.80 | Joback Calculated Property |
| Cp,gas | 165.72 | J/mol×K | 611.68 | Joback Calculated Property |
| Cp,gas | 171.10 | J/mol×K | 652.56 | Joback Calculated Property |
| Cp,gas | 176.15 | J/mol×K | 693.45 | Joback Calculated Property |
| Cp,gas | 180.84 | J/mol×K | 734.33 | Joback Calculated Property |
| Cp,gas | 185.12 | J/mol×K | 775.21 | Joback Calculated Property |
| Cp,gas | 188.99 | J/mol×K | 816.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methanediol, dinitrate.
Sources
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