- InChI
- InChI=1S/C13H9NO5/c15-10-5-6-11(12(16)7-10)13(17)8-1-3-9(4-2-8)14(18)19/h1-7,15-16H
- InChI Key
- SGDKXQGGKPQZGD-UHFFFAOYSA-N
- Formula
- C13H9NO5
- SMILES
-
O=C(c1ccc([N+](=O)[O-])cc1)c1c
cc(O)cc1O - Molecular Weight1
- 259.21
- CAS
- 6994-40-7
- 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° | -128.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -328.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.11 | kJ/mol | Joback Calculated Property |
| log10WS | -3.18 | Crippen Calculated Property | |
| logPoct/wat | 2.237 | Crippen Calculated Property | |
| McVol | 177.240 | ml/mol | McGowan Calculated Property |
| Pc | 4782.59 | kPa | Joback Calculated Property |
| Tboil | 922.13 | K | Joback Calculated Property |
| Tc | 1202.77 | K | Joback Calculated Property |
| Tfus | 718.61 | K | Joback Calculated Property |
| Vc | 0.568 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [511.70; 585.91] | J/mol×K | [922.13; 1202.77] | 
|
| Cp,gas | 511.70 | J/mol×K | 922.13 | Joback Calculated Property |
| Cp,gas | 522.64 | J/mol×K | 968.90 | Joback Calculated Property |
| Cp,gas | 533.79 | J/mol×K | 1015.68 | Joback Calculated Property |
| Cp,gas | 545.41 | J/mol×K | 1062.45 | Joback Calculated Property |
| Cp,gas | 557.79 | J/mol×K | 1109.22 | Joback Calculated Property |
| Cp,gas | 571.20 | J/mol×K | 1155.99 | Joback Calculated Property |
| Cp,gas | 585.91 | J/mol×K | 1202.77 | Joback Calculated Property |
Similar Compounds
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Sources
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