- InChI
- InChI=1S/C2H4N2O4/c5-3(6)1-2-4(7)8/h1-2H2
- InChI Key
- UXGRXJVMQSSUGS-UHFFFAOYSA-N
- Formula
- C2H4N2O4
- SMILES
- O=[N+]([O-])CC[N+](=O)[O-]
- Molecular Weight1
- 120.06
- CAS
- 7570-26-5
- 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°solid : Solid 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).
- Tboilr : Boiling point at reduced pressure (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 | [-1185.40; -1180.00] | kJ/mol |
|
| ΔcH°solid | -1180.00 ± 0.80 | kJ/mol | NIST |
| ΔcH°solid | -1183.00 ± 1.20 | kJ/mol | NIST |
| ΔcH°solid | -1185.40 | kJ/mol | NIST |
| ΔfG° | 37.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -106.13 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | [-179.00; -173.30] | kJ/mol |
|
| ΔfH°solid | -179.00 ± 0.80 | kJ/mol | NIST |
| ΔfH°solid | -176.00 ± 1.20 | kJ/mol | NIST |
| ΔfH°solid | -173.30 | kJ/mol | NIST |
| ΔfusH° | 23.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.23 | kJ/mol | Joback Calculated Property |
| log10WS | -0.83 | Crippen Calculated Property | |
| logPoct/wat | -0.460 | Crippen Calculated Property | |
| McVol | 73.880 | ml/mol | McGowan Calculated Property |
| Pc | 5205.63 | kPa | Joback Calculated Property |
| Tboil | 548.84 | K | Joback Calculated Property |
| Tc | 796.41 | K | Joback Calculated Property |
| Tfus | 399.52 | K | Joback Calculated Property |
| Vc | 0.311 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.28; 197.66] | J/mol×K | [548.84; 796.41] |
|
| Cp,gas | 163.28 | J/mol×K | 548.84 | Joback Calculated Property |
| Cp,gas | 170.21 | J/mol×K | 590.10 | Joback Calculated Property |
| Cp,gas | 176.63 | J/mol×K | 631.36 | Joback Calculated Property |
| Cp,gas | 182.56 | J/mol×K | 672.62 | Joback Calculated Property |
| Cp,gas | 188.03 | J/mol×K | 713.89 | Joback Calculated Property |
| Cp,gas | 193.06 | J/mol×K | 755.15 | Joback Calculated Property |
| Cp,gas | 197.66 | J/mol×K | 796.41 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 368.20 | K | 0.70 | NIST |
Similar Compounds
Find more compounds similar to 1,2-Dinitroethane.
Sources
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