- 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
- 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).
- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4178 | Relay (1.0) Calculated Property | |
| ΔfG° | 226.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 174.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.55 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 84.80 ± 1.40 | kJ/mol | NIST |
| ΔvapH° | 67.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.51; 7.70] | eV |
|
| IE | 7.51 | eV | NIST |
| IE | 7.70 ± 0.10 | eV | NIST |
| log10WS | -2.28 | 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 |
| Inp | 1411.00 | NIST | |
| Tboil | 546.41 | K | Relay (1.0) Calculated Property |
| Tc | 809.70 | K | Relay (1.0) Calculated Property |
| Tfus | 375.26 | K | Relay (1.0) Calculated Property |
| Ttriple | 332.35 | K | Measurement and Correlation of the Dissolution Equilibria of o-Iodoaniline and p-Iodoaniline in Pure Solvents |
| Vc | 0.347 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [115.51; 252.45] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.99000e+00 | |||
| Coefficient B | 5.36300e-01 | |||
| Coefficient C | -3.91560e-04 | |||
| Coefficient D | 1.11700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 115.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 141.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 164.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 183.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 200.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 214.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 226.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 236.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 244.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 252.45 | J/mol×K | 1000.00 | Calculated Property |
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-
- 2-Propanol + Benzenamine, 4-iodo-
- Benzene + Benzenamine, 4-iodo-
- Benzenamine, 4-iodo- + Cyclohexane
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- New method for determination of vaporization and sublimation enthalpy of aromatic compounds at 298.15 K using solution calorimetry technique and group-additivity scheme
- 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.