- InChI
- InChI=1S/C13H9NO4/c15-12-7-6-10(14(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8,15H
- InChI Key
- YHRILHYQNVLOEQ-UHFFFAOYSA-N
- Formula
- C13H9NO4
- SMILES
-
O=C(c1ccccc1)c1cc([N+](=O)[O-]
)ccc1O - Molecular Weight1
- 243.21
- CAS
- 18803-19-5
- 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° | 25.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.10 | kJ/mol | Joback Calculated Property |
| log10WS | -3.63 | Crippen Calculated Property | |
| logPoct/wat | 2.531 | Crippen Calculated Property | |
| McVol | 171.370 | ml/mol | McGowan Calculated Property |
| Pc | 3930.78 | kPa | Joback Calculated Property |
| Tboil | 841.51 | K | Joback Calculated Property |
| Tc | 1118.60 | K | Joback Calculated Property |
| Tfus | 606.89 | K | Joback Calculated Property |
| Vc | 0.602 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.56; 530.85] | J/mol×K | [841.51; 1118.60] | 
|
| Cp,gas | 473.56 | J/mol×K | 841.51 | Joback Calculated Property |
| Cp,gas | 484.20 | J/mol×K | 887.69 | Joback Calculated Property |
| Cp,gas | 494.15 | J/mol×K | 933.87 | Joback Calculated Property |
| Cp,gas | 503.61 | J/mol×K | 980.05 | Joback Calculated Property |
| Cp,gas | 512.76 | J/mol×K | 1026.24 | Joback Calculated Property |
| Cp,gas | 521.78 | J/mol×K | 1072.42 | Joback Calculated Property |
| Cp,gas | 530.85 | J/mol×K | 1118.60 | Joback Calculated Property |
Similar Compounds
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Sources
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