- InChI
- InChI=1S/C6H6IN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
- InChI Key
- FFCSRWGYGMRBGD-UHFFFAOYSA-N
- Formula
- C6H6IN
- SMILES
- Nc1cccc(I)c1
- Molecular Weight1
- 219.02
- CAS
- 626-01-7
- Other Names
-
- Aniline, m-iodo-
- m-Aminoiodobenzene
- m-Iodoaniline
- 3-Iodoaniline
- 3-I-C6H4NH2
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ω | 0.4075 | Relay (... Calculated Property | |
| PAff | 878.70 | kJ/mol | NIST |
| BasG | 846.80 | kJ/mol | NIST |
| ΔfG° | 226.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 182.47 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 14.50 | kJ/mol | NIST |
| ΔvapH° | 67.50 ± 1.40 | kJ/mol | NIST |
| IE | 7.92 | eV | Relay (... Calculated Property |
| log10WS | -2.19 | Relay (... 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 | [1358.90; 1358.90] |
|
|
| Inp | 1358.90 | NIST | |
| Inp | 1358.90 | NIST | |
| Tboil | 548.26 | K | Relay (... Calculated Property |
| Tc | 829.66 | K | Relay (... Calculated Property |
| Tfus | 309.48 | K | Relay (... Calculated Property |
| Vc | 0.360 | m3/kmol | Relay (... 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 |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 418.70 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Benzenamine, 3-iodo-.
Sources
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