- InChI
- InChI=1S/C6H6IN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
- InChI Key
- UBPDKIDWEADHPP-UHFFFAOYSA-N
- Formula
- C6H6IN
- SMILES
- Nc1ccccc1I
- Molecular Weight1
- 219.02
- CAS
- 615-43-0
- Other Names
-
- 2-iodoaniline
- Aniline, o-iodo-
- aniline, 2-iodo-
- o-Aminoiodobenzene
- o-iodoaniline
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 187.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.55 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 81.30 ± 1.40 | kJ/mol | NIST |
| ΔvapH° | 67.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | NIST |
| log10WS | -2.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.873 | Crippen Calculated Property | |
| McVol | 107.440 | ml/mol | McGowan Calculated Property |
| Pc | 4802.50 | kPa | Joback Calculated Property |
| Tboil | 534.63 | K | Relay (1.0) Calculated Property |
| Tc | 822.16 | K | Relay (1.0) Calculated Property |
| Tfus | 302.36 | K | Relay (1.0) Calculated Property |
| Ttriple | 325.70 | K | Measurement and Correlation of the Dissolution Equilibria of o-Iodoaniline and p-Iodoaniline in Pure Solvents |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.79; 232.10] | J/mol×K | [534.21; 803.68] | 
|
| Cp,gas | 187.79 | J/mol×K | 534.21 | Joback Calculated Property |
| Cp,gas | 196.97 | J/mol×K | 579.12 | Joback Calculated Property |
| Cp,gas | 205.34 | J/mol×K | 624.03 | Joback Calculated Property |
| Cp,gas | 212.98 | J/mol×K | 668.94 | Joback Calculated Property |
| Cp,gas | 219.95 | J/mol×K | 713.86 | Joback Calculated Property |
| Cp,gas | 226.30 | J/mol×K | 758.77 | Joback Calculated Property |
| Cp,gas | 232.10 | J/mol×K | 803.68 | Joback Calculated Property |
| ΔfusH | [13.95; 19.38] | kJ/mol | [329.60; 333.00] |
|
| ΔfusH | 19.38 | kJ/mol | 329.60 | NIST |
| ΔfusH | 13.95 | kJ/mol | 333.00 | NIST |
Similar Compounds
Find more compounds similar to Benzenamine, 2-iodo-.
Mixtures
- Benzenamine, 2-iodo- + Water
- Benzenamine, 2-iodo- + Methyl Alcohol
- Benzenamine, 2-iodo- + 1,2-Ethanediol
- Benzenamine, 2-iodo- + Ethyl Acetate
- Benzenamine, 2-iodo- + n-Hexane
- Benzenamine, 2-iodo- + Cyclohexane
- Benzenamine, 2-iodo- + Methylene chloride
- Benzenamine, 2-iodo- + Trichloromethane
- Benzenamine, 2-iodo- + Carbon Tetrachloride
- Benzenamine, 2-iodo- + Ethanol
- Benzenamine, 2-iodo- + 2-Propanol
- Benzenamine, 2-iodo- + Benzene
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Measurement and Correlation of the Dissolution Equilibria of o-Iodoaniline and p-Iodoaniline in Pure Solvents
- Joback Method
- McGowan Method
- NIST Webbook
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