- InChI
- InChI=1S/C8H7NO5/c1-14-6-2-5(4-10)8(11)7(3-6)9(12)13/h2-4,11H,1H3
- InChI Key
- CCHTVTHOPTTYSY-UHFFFAOYSA-N
- Formula
- C8H7NO5
- SMILES
-
COc1cc(C=O)c(O)c([N+](=O)[O-])
c1 - Molecular Weight1
- 197.14
- CAS
- 34549-69-4
- Other Names
-
- 2-Hydroxy-5-methoxy-3-nitrobenzaldehyde
- 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 | 0.7473 | Relay (... Calculated Property | |
| ΔfG° | -213.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -380.96 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.38 | kJ/mol | Relay (... Calculated Property |
| IE | 8.78 | eV | Relay (... Calculated Property |
| log10WS | -2.48 | Relay (... Calculated Property | |
| logPoct/wat | 1.121 | Crippen Calculated Property | |
| McVol | 130.550 | ml/mol | McGowan Calculated Property |
| Pc | 4646.65 | kPa | Joback Calculated Property |
| Tboil | 560.10 | K | Relay (... Calculated Property |
| Tc | 873.17 | K | Relay (... Calculated Property |
| Tfus | 357.33 | K | Relay (... Calculated Property |
| Vc | 0.451 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [336.61; 381.36] | J/mol×K | [722.62; 973.09] | 
|
| Cp,gas | 336.61 | J/mol×K | 722.62 | Joback Calculated Property |
| Cp,gas | 345.30 | J/mol×K | 764.36 | Joback Calculated Property |
| Cp,gas | 353.42 | J/mol×K | 806.11 | Joback Calculated Property |
| Cp,gas | 361.01 | J/mol×K | 847.85 | Joback Calculated Property |
| Cp,gas | 368.15 | J/mol×K | 889.60 | Joback Calculated Property |
| Cp,gas | 374.91 | J/mol×K | 931.34 | Joback Calculated Property |
| Cp,gas | 381.36 | J/mol×K | 973.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Methoxy-3-nitrosalicylaldehyde.
Sources
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