- InChI
- InChI=1S/C6H4ClI/c7-5-3-1-2-4-6(5)8/h1-4H
- InChI Key
- MPEOPBCQHNWNFB-UHFFFAOYSA-N
- Formula
- C6H4ClI
- SMILES
- Clc1ccccc1I
- Molecular Weight1
- 238.45
- CAS
- 615-41-8
- Other Names
-
- 1-Chloro-2-iodobenzene
- 2-Chloroiodobenzene
- 2-Chlorophenyl iodide
- 2-Iodochlorobenzene
- o-Chloroiodobenzene
- o-Iodochlorobenzene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 148.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 119.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.65 | kJ/mol | Joback Calculated Property |
| IE | 8.40 ± 0.10 | eV | NIST |
| log10WS | [-3.54; -3.54] |
|
|
| log10WS | -3.54 | Aq. Sol... | |
| log10WS | -3.54 | Estimat... | |
| logPoct/wat | 2.945 | Crippen Calculated Property | |
| McVol | 109.700 | ml/mol | McGowan Calculated Property |
| Pc | 4233.04 | kPa | Joback Calculated Property |
| Inp | [1205.90; 1257.00] |
|
|
| Inp | 1257.00 | NIST | |
| Inp | 1205.90 | NIST | |
| Inp | 1205.90 | NIST | |
| Tboil | 507.70 | K | NIST |
| Tc | 763.15 | K | Joback Calculated Property |
| Tfus | 274.05 | K | Aq. Sol... |
| Vc | 0.401 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.37; 203.75] | J/mol×K | [498.91; 763.15] |
|
| Cp,gas | 164.37 | J/mol×K | 498.91 | Joback Calculated Property |
| Cp,gas | 172.59 | J/mol×K | 542.95 | Joback Calculated Property |
| Cp,gas | 180.07 | J/mol×K | 586.99 | Joback Calculated Property |
| Cp,gas | 186.87 | J/mol×K | 631.03 | Joback Calculated Property |
| Cp,gas | 193.04 | J/mol×K | 675.07 | Joback Calculated Property |
| Cp,gas | 198.65 | J/mol×K | 719.11 | Joback Calculated Property |
| Cp,gas | 203.75 | J/mol×K | 763.15 | Joback Calculated Property |
| η | [0.0003439; 0.0027929] | Pa×s | [284.30; 498.91] |
|
| η | 0.0027929 | Pa×s | 284.30 | Joback Calculated Property |
| η | 0.0016208 | Pa×s | 320.07 | Joback Calculated Property |
| η | 0.0010494 | Pa×s | 355.84 | Joback Calculated Property |
| η | 0.0007356 | Pa×s | 391.61 | Joback Calculated Property |
| η | 0.0005472 | Pa×s | 427.37 | Joback Calculated Property |
| η | 0.0004261 | Pa×s | 463.14 | Joback Calculated Property |
| η | 0.0003439 | Pa×s | 498.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-2-iodo-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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