- InChI
- InChI=1S/C7H3IN2O3/c8-5-1-4(3-9)2-6(7(5)11)10(12)13/h1-2,11H
- InChI Key
- SGKGVABHDAQAJO-UHFFFAOYSA-N
- Formula
- C7H3IN2O3
- SMILES
-
N#Cc1cc(I)c(O)c([N+](=O)[O-])c
1 - Molecular Weight1
- 290.01
- CAS
- 1689-89-0
- Other Names
-
- Benzonitrile, 4-hydroxy-3-iodo-5-nitro-
- Dovenix
- 4-Hydroxy-3-iodo-5-nitrobenzonitrile
- Nitroxynil
- Trodax
- 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° | 173.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 79.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.23 | kJ/mol | Joback Calculated Property |
| log10WS | -3.17 | Crippen Calculated Property | |
| logPoct/wat | 1.777 | Crippen Calculated Property | |
| McVol | 136.220 | ml/mol | McGowan Calculated Property |
| Pc | 4596.38 | kPa | Joback Calculated Property |
| Inp | 1754.00 | NIST | |
| Tboil | 823.88 | K | Joback Calculated Property |
| Tc | 1119.87 | K | Joback Calculated Property |
| Tfus | 598.49 | K | Joback Calculated Property |
| Vc | 0.481 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [289.19; 326.22] | J/mol×K | [823.88; 1119.87] | 
|
| Cp,gas | 289.19 | J/mol×K | 823.88 | Joback Calculated Property |
| Cp,gas | 295.11 | J/mol×K | 873.21 | Joback Calculated Property |
| Cp,gas | 300.91 | J/mol×K | 922.54 | Joback Calculated Property |
| Cp,gas | 306.75 | J/mol×K | 971.87 | Joback Calculated Property |
| Cp,gas | 312.80 | J/mol×K | 1021.20 | Joback Calculated Property |
| Cp,gas | 319.23 | J/mol×K | 1070.53 | Joback Calculated Property |
| Cp,gas | 326.22 | J/mol×K | 1119.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nitroxinil.
Sources
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