- 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).
- 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).
- 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).
- 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° | 226.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 168.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.55 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 81.30 ± 1.40 | kJ/mol | NIST |
| ΔvapH° | 51.90 | kJ/mol | Joback Calculated Property |
| IE | 8.35 | eV | NIST |
| log10WS | -2.25 | Crippen 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 | 534.01 | K | Joback Calculated Property |
| Tc | 803.38 | K | Joback Calculated Property |
| Tfus | 337.64 | K | Joback Calculated Property |
| Ttriple | 325.70 | K | Measure... |
| Vc | 0.381 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.75; 232.06] | J/mol×K | [534.01; 803.38] | 
|
| Cp,gas | 187.75 | J/mol×K | 534.01 | Joback Calculated Property |
| Cp,gas | 196.92 | J/mol×K | 578.90 | Joback Calculated Property |
| Cp,gas | 205.30 | J/mol×K | 623.80 | Joback Calculated Property |
| Cp,gas | 212.94 | J/mol×K | 668.69 | Joback Calculated Property |
| Cp,gas | 219.91 | J/mol×K | 713.59 | Joback Calculated Property |
| Cp,gas | 226.26 | J/mol×K | 758.48 | Joback Calculated Property |
| Cp,gas | 232.06 | J/mol×K | 803.38 | 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- + Isopropyl Alcohol
- Benzenamine, 2-iodo- + Benzene
Sources
- 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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