- InChI
- InChI=1S/C8H7NO4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-4,11H,1H3
- InChI Key
- MMNKVWGVSHRIJL-UHFFFAOYSA-N
- Formula
- C8H7NO4
- SMILES
-
CC(=O)c1ccc(O)c([N+](=O)[O-])c
1 - Molecular Weight1
- 181.15
- CAS
- 6322-56-1
- Other Names
-
- 4'-Hydroxy-3'-Nitro acetophenone
- 4-Hydroxy-3-nitroacetophenone
- 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° | -128.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -284.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.69 | kJ/mol | Joback Calculated Property |
| log10WS | -2.33 | Crippen Calculated Property | |
| logPoct/wat | 1.503 | Crippen Calculated Property | |
| McVol | 124.680 | ml/mol | McGowan Calculated Property |
| Pc | 4782.59 | kPa | Joback Calculated Property |
| Tboil | 700.43 | K | Joback Calculated Property |
| Tc | 959.94 | K | Joback Calculated Property |
| Tfus | 524.12 | K | Joback Calculated Property |
| Vc | 0.429 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.47; 361.98] | J/mol×K | [700.43; 959.94] | 
|
| Cp,gas | 315.47 | J/mol×K | 700.43 | Joback Calculated Property |
| Cp,gas | 324.55 | J/mol×K | 743.68 | Joback Calculated Property |
| Cp,gas | 332.96 | J/mol×K | 786.93 | Joback Calculated Property |
| Cp,gas | 340.79 | J/mol×K | 830.18 | Joback Calculated Property |
| Cp,gas | 348.17 | J/mol×K | 873.43 | Joback Calculated Property |
| Cp,gas | 355.19 | J/mol×K | 916.69 | Joback Calculated Property |
| Cp,gas | 361.98 | J/mol×K | 959.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 1-(4-hydroxy-3-nitrophenyl)-.
Sources
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