- InChI
- InChI=1S/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H
- InChI Key
- HFHFGHLXUCOHLN-UHFFFAOYSA-N
- Formula
- C6H5FO
- SMILES
- Oc1ccccc1F
- Molecular Weight1
- 112.10
- CAS
- 367-12-4
- Other Names
-
- 1-Fluoro-2-hydroxybenzene
- 2-FLUOROPHENOL
- Phenol, o-fluoro-
- o-Fluorophenol
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (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).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| PAff | 788.00 | kJ/mol | NIST |
| BasG | 758.00 | kJ/mol | NIST |
| ΔcH°liquid | -2953.00 | kJ/mol | NIST |
| ΔfG° | -237.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -304.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.30 ± 0.80 | kJ/mol | NIST |
| IE | [8.66; 8.97] | eV |
|
| IE | 8.68 ± 0.02 | eV | NIST |
| IE | 8.66 ± 0.01 | eV | NIST |
| IE | 8.97 ± 0.02 | eV | NIST |
| IE | 8.95 | eV | NIST |
| log10WS | -1.35 | Crippen Calculated Property | |
| logPoct/wat | 1.531 | Crippen Calculated Property | |
| McVol | 79.280 | ml/mol | McGowan Calculated Property |
| Pc | 5414.53 | kPa | Joback Calculated Property |
| Inp | [128.00; 856.00] |
|
|
| Inp | 856.00 | NIST | |
| Inp | 128.00 | NIST | |
| Inp | 128.00 | NIST | |
| Tboil | [424.15; 444.50] | K |
|
| Tboil | 424.15 | K | KDB |
| Tboil | 444.50 ± 0.50 | K | NIST |
| Tc | 663.74 | K | Joback Calculated Property |
| Tfus | 289.25 | K | KDB |
| Vc | 0.247 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.19; 198.03] | J/mol×K | [443.25; 663.74] |
|
| Cp,gas | 154.19 | J/mol×K | 443.25 | Joback Calculated Property |
| Cp,gas | 163.19 | J/mol×K | 480.00 | Joback Calculated Property |
| Cp,gas | 171.42 | J/mol×K | 516.75 | Joback Calculated Property |
| Cp,gas | 178.95 | J/mol×K | 553.49 | Joback Calculated Property |
| Cp,gas | 185.85 | J/mol×K | 590.24 | Joback Calculated Property |
| Cp,gas | 192.19 | J/mol×K | 626.99 | Joback Calculated Property |
| Cp,gas | 198.03 | J/mol×K | 663.74 | Joback Calculated Property |
| ΔvapH | 52.30 | kJ/mol | 298.15 | Experim... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 444.70 | K | 98.80 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.24; 202.62] | kPa | [293.00; 449.96] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52236e+01 | |||
| Coefficient B | -3.83910e+03 | |||
| Coefficient C | -6.26500e+01 | |||
| Temperature range, min. | 293.00 | |||
| Temperature range, max. | 449.96 | |||
| Pvap | 0.24 | kPa | 293.00 | Calculated Property |
| Pvap | 0.76 | kPa | 310.44 | Calculated Property |
| Pvap | 2.11 | kPa | 327.88 | Calculated Property |
| Pvap | 5.17 | kPa | 345.32 | Calculated Property |
| Pvap | 11.37 | kPa | 362.76 | Calculated Property |
| Pvap | 22.96 | kPa | 380.20 | Calculated Property |
| Pvap | 43.09 | kPa | 397.64 | Calculated Property |
| Pvap | 75.97 | kPa | 415.08 | Calculated Property |
| Pvap | 126.97 | kPa | 432.52 | Calculated Property |
| Pvap | 202.62 | kPa | 449.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-fluoro-.
Sources
- Crippen Method
- Crippen Method
- Experimental and Computational Thermochemical Study of the Three Monofluorophenol Isomers
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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