- InChI
- InChI=1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
- InChI Key
- VLVCDUSVTXIWGW-UHFFFAOYSA-N
- Formula
- C6H6IN
- SMILES
- Nc1ccc(I)cc1
- Molecular Weight1
- 219.02
- CAS
- 540-37-4
- Other Names
-
- 4-iodoaniline
- Aniline, p-iodo-
- aniline, 4-iodo-
- benzanamine, 4-iodo-
- p-Aminophenyl iodide
- p-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).
- Inp : Non-polar retention indices.
- 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° | 84.80 ± 1.40 | kJ/mol | NIST |
| ΔvapH° | 51.90 | kJ/mol | Joback Calculated Property |
| IE | [7.51; 7.70] | eV |
|
| IE | 7.51 | eV | NIST |
| IE | 7.70 ± 0.10 | 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 |
| Inp | 1411.00 | NIST | |
| Tboil | 534.01 | K | Joback Calculated Property |
| Tc | 803.38 | K | Joback Calculated Property |
| Tfus | 337.64 | K | Joback Calculated Property |
| Ttriple | 332.35 | 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 | [15.10; 16.94] | kJ/mol | [334.00; 336.00] |
|
| ΔfusH | 15.10 | kJ/mol | 334.00 | NIST |
| ΔfusH | 16.94 | kJ/mol | 336.00 | NIST |
Similar Compounds
Find more compounds similar to Benzenamine, 4-iodo-.
Mixtures
- Benzenamine, 4-iodo- + Water
- Methylene chloride + Benzenamine, 4-iodo-
- Trichloromethane + Benzenamine, 4-iodo-
- Benzenamine, 4-iodo- + Methyl Alcohol
- 1,2-Ethanediol + Benzenamine, 4-iodo-
- Benzenamine, 4-iodo- + Ethyl Acetate
- n-Hexane + Benzenamine, 4-iodo-
- Benzenamine, 4-iodo- + Carbon Tetrachloride
- Ethanol + Benzenamine, 4-iodo-
- Isopropyl Alcohol + Benzenamine, 4-iodo-
- Benzene + Benzenamine, 4-iodo-
- Benzenamine, 4-iodo- + Cyclohexane
Sources
- Crippen Method
- Crippen Method
- Measurement and Correlation of the Dissolution Equilibria of o-Iodoaniline and p-Iodoaniline in Pure Solvents
- Solubility Measurement and Phase Equilibrium Modeling of 2-Aminobenzamide in 15 Pure Solvents
- Joback Method
- McGowan Method
- NIST Webbook
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