- InChI
- InChI=1S/C8H9NO4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3
- InChI Key
- YFWBUVZWCBFSQN-UHFFFAOYSA-N
- Formula
- C8H9NO4
- SMILES
- COc1ccc([N+](=O)[O-])cc1OC
- Molecular Weight1
- 183.16
- CAS
- 709-09-1
- Other Names
-
- 3,4-Dimethoxynitrobenzene
- 1,2-Dimethoxy-4-nitrobenzene
- 4-Nitroveratrole
- 4-Nitrcveratrole
- 2-Methoxy-5-nitrophenol, methyl ether
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -64.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -270.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.41 | kJ/mol | Joback Calculated Property |
| log10WS | -2.36 | Crippen Calculated Property | |
| logPoct/wat | 1.612 | Crippen Calculated Property | |
| McVol | 128.980 | ml/mol | McGowan Calculated Property |
| Pc | 3431.89 | kPa | Joback Calculated Property |
| Inp | 1624.10 | NIST | |
| Tboil | 615.76 | K | Joback Calculated Property |
| Tc | 854.02 | K | Joback Calculated Property |
| Tfus | 419.45 | K | Joback Calculated Property |
| Vc | 0.493 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.07; 368.00] | J/mol×K | [615.76; 854.02] | 
|
| Cp,gas | 309.07 | J/mol×K | 615.76 | Joback Calculated Property |
| Cp,gas | 320.70 | J/mol×K | 655.47 | Joback Calculated Property |
| Cp,gas | 331.62 | J/mol×K | 695.18 | Joback Calculated Property |
| Cp,gas | 341.82 | J/mol×K | 734.89 | Joback Calculated Property |
| Cp,gas | 351.29 | J/mol×K | 774.60 | Joback Calculated Property |
| Cp,gas | 360.02 | J/mol×K | 814.31 | Joback Calculated Property |
| Cp,gas | 368.00 | J/mol×K | 854.02 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 503.20 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1,2-dimethoxy-4-nitro-.
Sources
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