- InChI
- InChI=1S/C8H8N2O6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3
- InChI Key
- WFDHPWTYKOAFBJ-UHFFFAOYSA-N
- Formula
- C8H8N2O6
- SMILES
-
COc1cc([N+](=O)[O-])c([N+](=O)
[O-])cc1OC - Molecular Weight1
- 228.16
- CAS
- 3395-03-7
- Other Names
-
- 4,5-Dinitro veratrole
- ω : Acentric Factor.
- 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).
- ΔfusH° : Enthalpy of fusion 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 | 0.7605 | Relay (1.0) Calculated Property | |
| ΔfG° | -38.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -210.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.520 | Crippen Calculated Property | |
| McVol | 146.400 | ml/mol | McGowan Calculated Property |
| Pc | 3419.86 | kPa | Joback Calculated Property |
| Tboil | 568.71 | K | Relay (1.0) Calculated Property |
| Tc | 839.54 | K | Relay (1.0) Calculated Property |
| Tfus | 435.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.517 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [392.28; 437.33] | J/mol×K | [772.58; 1030.98] | 
|
| Cp,gas | 392.28 | J/mol×K | 772.58 | Joback Calculated Property |
| Cp,gas | 402.28 | J/mol×K | 815.65 | Joback Calculated Property |
| Cp,gas | 411.30 | J/mol×K | 858.71 | Joback Calculated Property |
| Cp,gas | 419.34 | J/mol×K | 901.78 | Joback Calculated Property |
| Cp,gas | 426.37 | J/mol×K | 944.85 | Joback Calculated Property |
| Cp,gas | 432.37 | J/mol×K | 987.92 | Joback Calculated Property |
| Cp,gas | 437.33 | J/mol×K | 1030.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Dimethoxy-4,5-dinitrobenzene.
Sources
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