- InChI
- InChI=1S/C9H9NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-5H,1-2H3
- InChI Key
- YWSPWKXREVSQCA-UHFFFAOYSA-N
- Formula
- C9H9NO5
- SMILES
-
COc1cc(C=O)c([N+](=O)[O-])cc1O
C - Molecular Weight1
- 211.17
- CAS
- 20357-25-9
- Other Names
-
- 3,4-Dimethoxy-6-nitrobenzaldehyde
- Benzaldehyde, 4,5-dimethoxy-2-nitro-
- 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 | 0.7011 | Relay (... Calculated Property | |
| ΔfG° | -165.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -342.31 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.85 | kJ/mol | Relay (... Calculated Property |
| IE | 9.08 | eV | Relay (... Calculated Property |
| log10WS | -2.71 | Relay (... Calculated Property | |
| logPoct/wat | 1.424 | Crippen Calculated Property | |
| McVol | 144.640 | ml/mol | McGowan Calculated Property |
| Pc | 3287.81 | kPa | Joback Calculated Property |
| Tboil | 579.34 | K | Relay (... Calculated Property |
| Tc | 843.76 | K | Relay (... Calculated Property |
| Tfus | 391.84 | K | Relay (... Calculated Property |
| Vc | 0.519 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [366.96; 419.67] | J/mol×K | [692.28; 927.60] | 
|
| Cp,gas | 366.96 | J/mol×K | 692.28 | Joback Calculated Property |
| Cp,gas | 377.68 | J/mol×K | 731.50 | Joback Calculated Property |
| Cp,gas | 387.65 | J/mol×K | 770.72 | Joback Calculated Property |
| Cp,gas | 396.85 | J/mol×K | 809.94 | Joback Calculated Property |
| Cp,gas | 405.26 | J/mol×K | 849.16 | Joback Calculated Property |
| Cp,gas | 412.87 | J/mol×K | 888.38 | Joback Calculated Property |
| Cp,gas | 419.67 | J/mol×K | 927.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Nitroveratraldehyde.
Sources
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