- InChI
- InChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H
- InChI Key
- KQDJTBPASNJQFQ-UHFFFAOYSA-N
- Formula
- C6H5IO
- SMILES
- Oc1ccccc1I
- Molecular Weight1
- 220.01
- CAS
- 533-58-4
- Other Names
-
- 2-Jodfenol
- 2-iodophenol
- o-Jodfenol
- o-iodophenol
- phenol, o-iodo-
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.4394 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -2979.80 ± 4.20 | kJ/mol | NIST |
| ΔfG° | 15.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 8.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.997 | Crippen Calculated Property | |
| McVol | 103.330 | ml/mol | McGowan Calculated Property |
| Pc | 5602.57 | kPa | Joback Calculated Property |
| Inp | [1163.00; 1182.00] |
|
|
| Inp | 1163.00 | NIST | |
| Inp | 1182.00 | NIST | |
| Inp | 1182.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1182.00 | NIST | |
| Tboil | 508.69 | K | Relay (1.0) Calculated Property |
| Tc | 816.35 | K | Relay (1.0) Calculated Property |
| Tfus | 314.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.324 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 76.10 | kJ/mol | 298.15 | Experimental and Computational Thermochemical Study of the Three Monoiodophenol Isomers |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 459.70 | K | 21.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [109.47; 241.94] | 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 | -3.37000e+01 | |||
| Coefficient B | 6.88500e-01 | |||
| Coefficient C | -6.71560e-04 | |||
| Coefficient D | 2.58700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 109.47 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 137.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 159.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 178.17 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 192.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 204.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 214.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 223.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 232.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 241.94 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0134692; 0.0000639] | Pa×s | [314.15; 566.05] |
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 | -1.63303e+01 | |||
| Coefficient B | 3.77702e+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. | 314.15 | |||
| Temperature range, max. | 566.05 | |||
| η | 0.0134692 | Pa×s | 314.15 | Calculated Property |
| η | 0.0050373 | Pa×s | 342.14 | Calculated Property |
| η | 0.0021860 | Pa×s | 370.13 | Calculated Property |
| η | 0.0010668 | Pa×s | 398.12 | Calculated Property |
| η | 0.0005721 | Pa×s | 426.11 | Calculated Property |
| η | 0.0003313 | Pa×s | 454.09 | Calculated Property |
| η | 0.0002044 | Pa×s | 482.08 | Calculated Property |
| η | 0.0001330 | Pa×s | 510.07 | Calculated Property |
| η | 0.0000905 | Pa×s | 538.06 | Calculated Property |
| η | 0.0000639 | Pa×s | 566.05 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-iodo-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Experimental and Computational Thermochemical Study of the Three Monoiodophenol Isomers
- Joback Method
- McGowan Method
- NIST Webbook
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