- InChI
- InChI=1S/C6H2IN3O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H
- InChI Key
- ZECBCPLUOMIFAA-UHFFFAOYSA-N
- Formula
- C6H2IN3O6
- SMILES
-
O=[N+]([O-])c1cc([N+](=O)[O-])
c(I)c([N+](=O)[O-])c1 - Molecular Weight1
- 339.00
- CAS
- 4436-27-5
- Other Names
-
- Picryl iodide
- 1-Iodo-2,4,6-trinitrobenzene
- 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° | 247.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 79.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.36 | kJ/mol | Joback Calculated Property |
| log10WS | -4.57 | Crippen Calculated Property | |
| logPoct/wat | 2.016 | Crippen Calculated Property | |
| McVol | 149.720 | ml/mol | McGowan Calculated Property |
| Pc | 4480.21 | kPa | Joback Calculated Property |
| Tboil | 926.96 | K | Joback Calculated Property |
| Tc | 1246.98 | K | Joback Calculated Property |
| Tfus | 710.25 | K | Joback Calculated Property |
| Vc | 0.598 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [342.15; 364.73] | J/mol×K | [926.96; 1246.98] | 
|
| Cp,gas | 342.15 | J/mol×K | 926.96 | Joback Calculated Property |
| Cp,gas | 347.35 | J/mol×K | 980.30 | Joback Calculated Property |
| Cp,gas | 351.85 | J/mol×K | 1033.63 | Joback Calculated Property |
| Cp,gas | 355.73 | J/mol×K | 1086.97 | Joback Calculated Property |
| Cp,gas | 359.11 | J/mol×K | 1140.31 | Joback Calculated Property |
| Cp,gas | 362.07 | J/mol×K | 1193.64 | Joback Calculated Property |
| Cp,gas | 364.73 | J/mol×K | 1246.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-iodo-1,3,5-trinitro-.
Sources
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