- InChI
- InChI=1S/C7H6INO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
- InChI Key
- BUQSRXQJUZTIEW-UHFFFAOYSA-N
- Formula
- C7H6INO2
- SMILES
- Cc1ccc([N+](=O)[O-])cc1I
- Molecular Weight1
- 263.03
- CAS
- 7745-92-8
- Other Names
-
- Benzene, 2-iodo-1-methyl-4-nitro-
- Toluene, 2-iodo-4-nitro
- 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° | 194.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 91.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.74 | kJ/mol | Joback Calculated Property |
| log10WS | -3.75 | Crippen Calculated Property | |
| logPoct/wat | 2.508 | Crippen Calculated Property | |
| McVol | 128.970 | ml/mol | McGowan Calculated Property |
| Pc | 3911.14 | kPa | Joback Calculated Property |
| Tboil | 641.18 | K | Joback Calculated Property |
| Tc | 923.86 | K | Joback Calculated Property |
| Tfus | 421.78 | K | Joback Calculated Property |
| Vc | 0.489 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.23; 302.77] | J/mol×K | [641.18; 923.86] | 
|
| Cp,gas | 257.23 | J/mol×K | 641.18 | Joback Calculated Property |
| Cp,gas | 266.72 | J/mol×K | 688.29 | Joback Calculated Property |
| Cp,gas | 275.37 | J/mol×K | 735.41 | Joback Calculated Property |
| Cp,gas | 283.23 | J/mol×K | 782.52 | Joback Calculated Property |
| Cp,gas | 290.37 | J/mol×K | 829.63 | Joback Calculated Property |
| Cp,gas | 296.86 | J/mol×K | 876.74 | Joback Calculated Property |
| Cp,gas | 302.77 | J/mol×K | 923.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Iodo-4-nitrotoluene.
Sources
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