- InChI
- InChI=1S/C9H7NO4/c1-6(11)9(12)7-2-4-8(5-3-7)10(13)14/h2-5H,1H3
- InChI Key
- WCQBWJSIZYUMDJ-UHFFFAOYSA-N
- Formula
- C9H7NO4
- SMILES
-
CC(=O)C(=O)c1ccc([N+](=O)[O-])
cc1 - Molecular Weight1
- 193.16
- CAS
- 6159-25-7
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -94.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.65 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 1.366 | Crippen Calculated Property | |
| McVol | 134.470 | ml/mol | McGowan Calculated Property |
| Pc | 3773.04 | kPa | Joback Calculated Property |
| Tboil | 696.56 | K | Joback Calculated Property |
| Tc | 948.65 | K | Joback Calculated Property |
| Tfus | 473.60 | K | Joback Calculated Property |
| Vc | 0.525 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.02; 379.89] | J/mol×K | [696.56; 948.65] | 
|
| Cp,gas | 332.02 | J/mol×K | 696.56 | Joback Calculated Property |
| Cp,gas | 342.09 | J/mol×K | 738.57 | Joback Calculated Property |
| Cp,gas | 351.26 | J/mol×K | 780.59 | Joback Calculated Property |
| Cp,gas | 359.58 | J/mol×K | 822.60 | Joback Calculated Property |
| Cp,gas | 367.10 | J/mol×K | 864.62 | Joback Calculated Property |
| Cp,gas | 373.85 | J/mol×K | 906.63 | Joback Calculated Property |
| Cp,gas | 379.89 | J/mol×K | 948.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Propanedione, 1-(p-nitrophenyl)-.
Sources
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