- InChI
- InChI=1S/C8H5NO4/c10-8-7-3-6(9(11)12)2-1-5(7)4-13-8/h1-3H,4H2
- InChI Key
- RNWGZXAHUPFXLL-UHFFFAOYSA-N
- Formula
- C8H5NO4
- SMILES
- O=C1OCc2ccc([N+](=O)[O-])cc21
- Molecular Weight1
- 179.13
- 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° | 4.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -182.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.57 | kJ/mol | Joback Calculated Property |
| log10WS | -2.65 | Aq. Sol... | |
| logPoct/wat | 1.265 | Crippen Calculated Property | |
| McVol | 113.820 | ml/mol | McGowan Calculated Property |
| Pc | 4540.80 | kPa | Joback Calculated Property |
| Tboil | 677.10 | K | Joback Calculated Property |
| Tc | 950.43 | K | Joback Calculated Property |
| Tfus | 491.96 | K | Joback Calculated Property |
| Vc | 0.444 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.92; 339.18] | J/mol×K | [677.10; 950.43] | 
|
| Cp,gas | 288.92 | J/mol×K | 677.10 | Joback Calculated Property |
| Cp,gas | 299.42 | J/mol×K | 722.66 | Joback Calculated Property |
| Cp,gas | 309.00 | J/mol×K | 768.21 | Joback Calculated Property |
| Cp,gas | 317.72 | J/mol×K | 813.77 | Joback Calculated Property |
| Cp,gas | 325.63 | J/mol×K | 859.32 | Joback Calculated Property |
| Cp,gas | 332.76 | J/mol×K | 904.88 | Joback Calculated Property |
| Cp,gas | 339.18 | J/mol×K | 950.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-nitro-3H-2-benzofuran-1-one.
Sources
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