- InChI
- InChI=1S/C7H5F3O/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3H,1H3
- InChI Key
- LIVNSQZJDRPZKP-UHFFFAOYSA-N
- Formula
- C7H5F3O
- SMILES
- COc1ccc(F)c(F)c1F
- Molecular Weight1
- 162.11
- ω : Acentric Factor.
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4069 | Relay (... Calculated Property | |
| ΔfG° | -597.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -606.03 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.25 | kJ/mol | Relay (... Calculated Property |
| IE | 8.74 | eV | Relay (... Calculated Property |
| log10WS | -2.48 | Relay (... Calculated Property | |
| logPoct/wat | 2.113 | Crippen Calculated Property | |
| McVol | 96.910 | ml/mol | McGowan Calculated Property |
| Pc | 3243.03 | kPa | Joback Calculated Property |
| Inp | 962.10 | NIST | |
| Tboil | 416.29 | K | Relay (... Calculated Property |
| Tc | 608.21 | K | Relay (... Calculated Property |
| Tfus | 254.40 | K | Relay (... Calculated Property |
| Vc | 0.365 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.57; 231.91] | J/mol×K | [421.41; 603.75] | 
|
| Cp,gas | 187.57 | J/mol×K | 421.41 | Joback Calculated Property |
| Cp,gas | 195.64 | J/mol×K | 451.80 | Joback Calculated Property |
| Cp,gas | 203.45 | J/mol×K | 482.19 | Joback Calculated Property |
| Cp,gas | 210.98 | J/mol×K | 512.58 | Joback Calculated Property |
| Cp,gas | 218.23 | J/mol×K | 542.97 | Joback Calculated Property |
| Cp,gas | 225.21 | J/mol×K | 573.36 | Joback Calculated Property |
| Cp,gas | 231.91 | J/mol×K | 603.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4-Trifluorophenol, methyl ether.
Sources
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