- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4069 | Relay (1.0) Calculated Property | |
| ΔfusH° | 17.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) 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 (1.0) Calculated Property |
| Tc | 610.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.366 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.37; 292.53] | 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 | 4.92900e+01 | |||
| Coefficient B | 3.83620e-01 | |||
| Coefficient C | -1.25280e-04 | |||
| Coefficient D | -1.51000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 144.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 168.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 191.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 211.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 230.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 246.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 261.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 273.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 284.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 292.53 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4-Trifluorophenol, methyl ether.
Sources
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