- InChI
- InChI=1S/C10H9NO6/c1-7(12)16-6-10(13)17-9-4-2-8(3-5-9)11(14)15/h2-5H,6H2,1H3
- InChI Key
- XGFYUGQGRUDVPI-UHFFFAOYSA-N
- Formula
- C10H9NO6
- SMILES
-
CC(=O)OCC(=O)Oc1ccc([N+](=O)[O
-])cc1 - Molecular Weight1
- 239.18
- 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).
- Inp : Non-polar retention indices.
- 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° | -296.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -525.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.70 | kJ/mol | Joback Calculated Property |
| log10WS | -2.14 | Crippen Calculated Property | |
| logPoct/wat | 1.063 | Crippen Calculated Property | |
| McVol | 160.300 | ml/mol | McGowan Calculated Property |
| Pc | 3235.66 | kPa | Joback Calculated Property |
| Inp | 1772.00 | NIST | |
| Tboil | 764.28 | K | Joback Calculated Property |
| Tc | 1003.42 | K | Joback Calculated Property |
| Tfus | 529.33 | K | Joback Calculated Property |
| Vc | 0.618 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [428.18; 475.37] | J/mol×K | [764.28; 1003.42] | 
|
| Cp,gas | 428.18 | J/mol×K | 764.28 | Joback Calculated Property |
| Cp,gas | 438.44 | J/mol×K | 804.14 | Joback Calculated Property |
| Cp,gas | 447.75 | J/mol×K | 843.99 | Joback Calculated Property |
| Cp,gas | 456.09 | J/mol×K | 883.85 | Joback Calculated Property |
| Cp,gas | 463.48 | J/mol×K | 923.71 | Joback Calculated Property |
| Cp,gas | 469.90 | J/mol×K | 963.56 | Joback Calculated Property |
| Cp,gas | 475.37 | J/mol×K | 1003.42 | Joback Calculated Property |
Similar Compounds
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Sources
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