- InChI
- InChI=1S/C6H4ClI/c7-5-1-3-6(8)4-2-5/h1-4H
- InChI Key
- GWQSENYKCGJTRI-UHFFFAOYSA-N
- Formula
- C6H4ClI
- SMILES
- Clc1ccc(I)cc1
- Molecular Weight1
- 238.46
- Other Names
-
- 1-Chloro-4-iodobenzene
- 4-Chloro-1-iodo-benzene
- 4-Chloroiodobenzene
- 4-Iodochlorobenzene
- p-Chloroiodobenzene
- p-Iodochlorobenzene
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.2939 | Relay (1.0) Calculated Property | |
| ΔfG° | 148.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 141.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | [-4.03; -4.03] |
|
|
| log10WS | -4.03 | Aq. Solubility Prediction | |
| log10WS | -4.03 | Estimated Solubility | |
| logPoct/wat | 2.945 | Crippen Calculated Property | |
| McVol | 109.700 | ml/mol | McGowan Calculated Property |
| Pc | 4233.04 | kPa | Joback Calculated Property |
| Tboil | 500.20 | K | NIST |
| Tc | 749.25 | K | Relay (1.0) Calculated Property |
| Tfus | [326.50; 328.48] | K |
|
| Tfus | 328.48 | K | Aq. Solubility Prediction |
| Tfus | 326.50 ± 0.50 | K | NIST |
| Tfus | 327.15 ± 1.50 | K | NIST |
| Vc | 0.377 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [108.54; 224.75] | 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 | 2.41000e+00 | |||
| Coefficient B | 4.81200e-01 | |||
| Coefficient C | -3.68560e-04 | |||
| Coefficient D | 1.09700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 108.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 131.38 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 150.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 167.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 181.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 193.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 203.14 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 211.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 218.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 224.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014717; 0.0002860] | Pa×s | [327.38; 534.42] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.07498e+01 | |||
| Coefficient B | 1.38430e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 327.38 | |||
| Temperature range, max. | 534.42 | |||
| η | 0.0014717 | Pa×s | 327.38 | Calculated Property |
| η | 0.0011149 | Pa×s | 350.38 | Calculated Property |
| η | 0.0008740 | Pa×s | 373.39 | Calculated Property |
| η | 0.0007048 | Pa×s | 396.39 | Calculated Property |
| η | 0.0005820 | Pa×s | 419.40 | Calculated Property |
| η | 0.0004902 | Pa×s | 442.40 | Calculated Property |
| η | 0.0004199 | Pa×s | 465.40 | Calculated Property |
| η | 0.0003650 | Pa×s | 488.41 | Calculated Property |
| η | 0.0003213 | Pa×s | 511.41 | Calculated Property |
| η | 0.0002860 | Pa×s | 534.42 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-4-iodo-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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