- InChI
- InChI=1S/C8H5NO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3H,4H2
- InChI Key
- NRZWECORTTWSEF-UHFFFAOYSA-N
- Formula
- C8H5NO5
- SMILES
- O=Cc1cc2c(cc1[N+](=O)[O-])OCO2
- Molecular Weight1
- 195.13
- CAS
- 712-97-0
- Other Names
-
- 3,4-(Methylenedioxy)-6-nitrobenzaldehyde
- 4,5-Methylenedioxy-2-nitrobenzaldehyde
- 1,3-Benzodioxole-5-carboxaldehyde, 6-nitro-
- Piperonal, 6-nitro-
- 1,3-Benzodioxole, 5-formyl-6-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 | 0.6451 | Relay (... Calculated Property | |
| ΔfG° | -67.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -290.91 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.76 | kJ/mol | Relay (... Calculated Property |
| IE | 9.23 | eV | Relay (... Calculated Property |
| log10WS | -3.22 | Relay (... Calculated Property | |
| logPoct/wat | 1.136 | Crippen Calculated Property | |
| McVol | 119.690 | ml/mol | McGowan Calculated Property |
| Pc | 4634.00 | kPa | Joback Calculated Property |
| Tboil | 576.83 | K | Relay (... Calculated Property |
| Tc | 889.63 | K | Relay (... Calculated Property |
| Tfus | 386.68 | K | Relay (... Calculated Property |
| Vc | 0.454 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [305.05; 347.10] | J/mol×K | [689.87; 947.39] | 
|
| Cp,gas | 305.05 | J/mol×K | 689.87 | Joback Calculated Property |
| Cp,gas | 313.68 | J/mol×K | 732.79 | Joback Calculated Property |
| Cp,gas | 321.55 | J/mol×K | 775.71 | Joback Calculated Property |
| Cp,gas | 328.75 | J/mol×K | 818.63 | Joback Calculated Property |
| Cp,gas | 335.36 | J/mol×K | 861.55 | Joback Calculated Property |
| Cp,gas | 341.45 | J/mol×K | 904.47 | Joback Calculated Property |
| Cp,gas | 347.10 | J/mol×K | 947.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Nitropiperonal.
Sources
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