- InChI
- InChI=1S/C6H3F3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
- InChI Key
- QSFGUSFDWCVXNR-UHFFFAOYSA-N
- Formula
- C6H3F3O
- SMILES
- Oc1c(F)ccc(F)c1F
- Molecular Weight1
- 148.08
- CAS
- 113798-74-6
- 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).
- 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° | -646.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -719.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.11 | kJ/mol | Joback Calculated Property |
| log10WS | -2.01 | Crippen Calculated Property | |
| logPoct/wat | 1.810 | Crippen Calculated Property | |
| McVol | 82.820 | ml/mol | McGowan Calculated Property |
| Pc | 4571.55 | kPa | Joback Calculated Property |
| Tboil | 451.75 | K | Joback Calculated Property |
| Tc | 651.70 | K | Joback Calculated Property |
| Tfus | 322.33 | K | Joback Calculated Property |
| Vc | 0.283 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [171.14; 207.11] | J/mol×K | [451.75; 651.70] | 
|
| Cp,gas | 171.14 | J/mol×K | 451.75 | Joback Calculated Property |
| Cp,gas | 178.30 | J/mol×K | 485.08 | Joback Calculated Property |
| Cp,gas | 184.94 | J/mol×K | 518.40 | Joback Calculated Property |
| Cp,gas | 191.10 | J/mol×K | 551.73 | Joback Calculated Property |
| Cp,gas | 196.82 | J/mol×K | 585.05 | Joback Calculated Property |
| Cp,gas | 202.14 | J/mol×K | 618.38 | Joback Calculated Property |
| Cp,gas | 207.11 | J/mol×K | 651.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,6-Trifluorophenol.
Sources
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