- InChI
- InChI=1S/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
- InChI Key
- PBYIIRLNRCVTMQ-UHFFFAOYSA-N
- Formula
- C6H2F4O
- SMILES
- Oc1c(F)c(F)cc(F)c1F
- Molecular Weight1
- 166.07
- CAS
- 769-39-1
- Other Names
-
- Phenol, 2,3,5,6-tetrafluoro-
- 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).
- 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° | -850.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -926.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.96 | kJ/mol | Joback Calculated Property |
| IE | 9.40 ± 0.02 | eV | NIST |
| log10WS | -2.35 | Crippen Calculated Property | |
| logPoct/wat | 1.949 | Crippen Calculated Property | |
| McVol | 84.590 | ml/mol | McGowan Calculated Property |
| Pc | 4222.04 | kPa | Joback Calculated Property |
| Tboil | [413.20; 415.00] | K |
|
| Tboil | 415.00 | K | NIST |
| Tboil | 413.20 | K | NIST |
| Tc | 646.82 | K | Joback Calculated Property |
| Tfus | 335.44 | K | Joback Calculated Property |
| Vc | 0.301 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [179.42; 211.90] | J/mol×K | [456.00; 646.82] |
|
| Cp,gas | 179.42 | J/mol×K | 456.00 | Joback Calculated Property |
| Cp,gas | 185.79 | J/mol×K | 487.80 | Joback Calculated Property |
| Cp,gas | 191.74 | J/mol×K | 519.61 | Joback Calculated Property |
| Cp,gas | 197.29 | J/mol×K | 551.41 | Joback Calculated Property |
| Cp,gas | 202.48 | J/mol×K | 583.22 | Joback Calculated Property |
| Cp,gas | 207.34 | J/mol×K | 615.02 | Joback Calculated Property |
| Cp,gas | 211.90 | J/mol×K | 646.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,5,6-Tetrafluorophenol.
Sources
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