- InChI
- InChI=1S/C6H5IN2O2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,8H2
- InChI Key
- BKYNSFHBQVINES-UHFFFAOYSA-N
- Formula
- C6H5IN2O2
- SMILES
- Nc1cc(I)cc([N+](=O)[O-])c1
- Molecular Weight1
- 264.02
- CAS
- 10394-64-6
- 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° | 252.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 146.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.16 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 1.782 | Crippen Calculated Property | |
| McVol | 124.860 | ml/mol | McGowan Calculated Property |
| Pc | 4782.59 | kPa | Joback Calculated Property |
| Tboil | 690.83 | K | Joback Calculated Property |
| Tc | 985.39 | K | Joback Calculated Property |
| Tfus | 493.77 | K | Joback Calculated Property |
| Vc | 0.463 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.68; 294.31] | J/mol×K | [690.83; 985.39] | 
|
| Cp,gas | 256.68 | J/mol×K | 690.83 | Joback Calculated Property |
| Cp,gas | 264.70 | J/mol×K | 739.92 | Joback Calculated Property |
| Cp,gas | 271.93 | J/mol×K | 789.02 | Joback Calculated Property |
| Cp,gas | 278.42 | J/mol×K | 838.11 | Joback Calculated Property |
| Cp,gas | 284.26 | J/mol×K | 887.21 | Joback Calculated Property |
| Cp,gas | 289.53 | J/mol×K | 936.30 | Joback Calculated Property |
| Cp,gas | 294.31 | J/mol×K | 985.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Iodo-5-nitroaniline.
Sources
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