- InChI
- InChI=1S/C7H6INO3/c1-4-2-5(8)7(10)6(3-4)9(11)12/h2-3,10H,1H3
- InChI Key
- ZGSKNXKQYFZYAW-UHFFFAOYSA-N
- Formula
- C7H6INO3
- SMILES
- Cc1cc(I)c(O)c([N+](=O)[O-])c1
- Molecular Weight1
- 279.03
- CAS
- 69492-91-7
- 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° | 40.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -85.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.75 | kJ/mol | Joback Calculated Property |
| log10WS | -3.29 | Crippen Calculated Property | |
| logPoct/wat | 2.213 | Crippen Calculated Property | |
| McVol | 134.840 | ml/mol | McGowan Calculated Property |
| Pc | 4756.24 | kPa | Joback Calculated Property |
| Tboil | 721.80 | K | Joback Calculated Property |
| Tc | 1010.62 | K | Joback Calculated Property |
| Tfus | 533.50 | K | Joback Calculated Property |
| Vc | 0.456 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.11; 335.23] | J/mol×K | [721.80; 1010.62] | 
|
| Cp,gas | 292.11 | J/mol×K | 721.80 | Joback Calculated Property |
| Cp,gas | 300.09 | J/mol×K | 769.94 | Joback Calculated Property |
| Cp,gas | 307.54 | J/mol×K | 818.07 | Joback Calculated Property |
| Cp,gas | 314.61 | J/mol×K | 866.21 | Joback Calculated Property |
| Cp,gas | 321.48 | J/mol×K | 914.35 | Joback Calculated Property |
| Cp,gas | 328.30 | J/mol×K | 962.48 | Joback Calculated Property |
| Cp,gas | 335.23 | J/mol×K | 1010.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Iodo-4-methyl-6-nitrophenol.
Sources
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