- InChI
- InChI=1S/C6H4I2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
- InChI Key
- YPVYMWQYENWFAT-UHFFFAOYSA-N
- Formula
- C6H4I2N2O2
- SMILES
- Nc1c(I)cc([N+](=O)[O-])cc1I
- Molecular Weight1
- 389.92
- CAS
- 5398-27-6
- Other Names
-
- 2,6-Diiodo-4-nitroaniliine
- Benzenamine, 2,6-diiodo-4-nitro-
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5864 | Relay (1.0) Calculated Property | |
| ΔfG° | 301.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 214.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.386 | Crippen Calculated Property | |
| McVol | 150.680 | ml/mol | McGowan Calculated Property |
| Pc | 4546.92 | kPa | Joback Calculated Property |
| Tboil | 608.97 | K | Relay (1.0) Calculated Property |
| Tc | 938.10 | K | Relay (1.0) Calculated Property |
| Tfus | 480.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.455 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.16; 310.88] | J/mol×K | [788.95; 1111.70] | 
|
| Cp,gas | 280.16 | J/mol×K | 788.95 | Joback Calculated Property |
| Cp,gas | 286.49 | J/mol×K | 842.74 | Joback Calculated Property |
| Cp,gas | 292.19 | J/mol×K | 896.53 | Joback Calculated Property |
| Cp,gas | 297.36 | J/mol×K | 950.32 | Joback Calculated Property |
| Cp,gas | 302.12 | J/mol×K | 1004.11 | Joback Calculated Property |
| Cp,gas | 306.59 | J/mol×K | 1057.91 | Joback Calculated Property |
| Cp,gas | 310.88 | J/mol×K | 1111.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Diiodo-4-nitroaniline.
Sources
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