- InChI
- InChI=1S/C7H4ClF3O/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3,12H
- InChI Key
- SUIZARUATMVYRT-UHFFFAOYSA-N
- Formula
- C7H4ClF3O
- SMILES
- Oc1cc(C(F)(F)F)ccc1Cl
- Molecular Weight1
- 196.55
- CAS
- 40889-91-6
- 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° | -637.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -752.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.77 | kJ/mol | Joback Calculated Property |
| log10WS | -2.81 | Crippen Calculated Property | |
| logPoct/wat | 3.064 | Crippen Calculated Property | |
| McVol | 109.150 | ml/mol | McGowan Calculated Property |
| Pc | 4015.93 | kPa | Joback Calculated Property |
| Tboil | 503.85 | K | Joback Calculated Property |
| Tc | 718.90 | K | Joback Calculated Property |
| Tfus | 353.42 | K | Joback Calculated Property |
| Vc | 0.378 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.40; 277.44] | J/mol×K | [503.85; 718.90] | 
|
| Cp,gas | 235.40 | J/mol×K | 503.85 | Joback Calculated Property |
| Cp,gas | 244.23 | J/mol×K | 539.69 | Joback Calculated Property |
| Cp,gas | 252.22 | J/mol×K | 575.53 | Joback Calculated Property |
| Cp,gas | 259.45 | J/mol×K | 611.37 | Joback Calculated Property |
| Cp,gas | 266.01 | J/mol×K | 647.21 | Joback Calculated Property |
| Cp,gas | 271.98 | J/mol×K | 683.06 | Joback Calculated Property |
| Cp,gas | 277.44 | J/mol×K | 718.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Cresol, 6-chloro-«alpha»,«alpha»,«alpha»-trifluoro-.
Sources
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