- InChI
- InChI=1S/C6H3IN2O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H
- InChI Key
- AISNAASNOWRWIR-UHFFFAOYSA-N
- Formula
- C6H3IN2O4
- SMILES
-
O=[N+]([O-])c1cc(I)cc([N+](=O)
[O-])c1 - Molecular Weight1
- 294.00
- CAS
- 6276-04-6
- Other Names
-
- Benzene, 1-iodo-3,5-dinitro
- 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 | 0.5940 | Relay (1.0) Calculated Property | |
| ΔfG° | 222.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 149.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.108 | Crippen Calculated Property | |
| McVol | 132.300 | ml/mol | McGowan Calculated Property |
| Pc | 4498.26 | kPa | Joback Calculated Property |
| Tboil | 573.22 | K | Relay (1.0) Calculated Property |
| Tc | 882.07 | K | Relay (1.0) Calculated Property |
| Tfus | 402.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.430 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.35; 312.00] | J/mol×K | [770.14; 1078.79] | 
|
| Cp,gas | 280.35 | J/mol×K | 770.14 | Joback Calculated Property |
| Cp,gas | 287.34 | J/mol×K | 821.58 | Joback Calculated Property |
| Cp,gas | 293.52 | J/mol×K | 873.02 | Joback Calculated Property |
| Cp,gas | 298.98 | J/mol×K | 924.46 | Joback Calculated Property |
| Cp,gas | 303.82 | J/mol×K | 975.91 | Joback Calculated Property |
| Cp,gas | 308.13 | J/mol×K | 1027.35 | Joback Calculated Property |
| Cp,gas | 312.00 | J/mol×K | 1078.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Dinitroiodobenzene.
Sources
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