- InChI
- InChI=1S/C10H11F3O/c1-6(2)14-5-7-3-8(11)10(13)9(12)4-7/h3-4,6H,5H2,1-2H3
- InChI Key
- WRNOMEZWKWCWDZ-UHFFFAOYSA-N
- Formula
- C10H11F3O
- SMILES
- CC(C)OCc1cc(F)c(F)c(F)c1
- Molecular Weight1
- 204.19
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -575.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -773.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.69 | kJ/mol | Joback Calculated Property |
| log10WS | -3.80 | Crippen Calculated Property | |
| logPoct/wat | 3.029 | Crippen Calculated Property | |
| McVol | 139.180 | ml/mol | McGowan Calculated Property |
| Pc | 2412.37 | kPa | Joback Calculated Property |
| Inp | 1120.00 | NIST | |
| Tboil | 489.61 | K | Joback Calculated Property |
| Tc | 671.06 | K | Joback Calculated Property |
| Tfus | 275.44 | K | Joback Calculated Property |
| Vc | 0.553 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.58; 372.26] | J/mol×K | [489.61; 671.06] | 
|
| Cp,gas | 307.58 | J/mol×K | 489.61 | Joback Calculated Property |
| Cp,gas | 319.54 | J/mol×K | 519.85 | Joback Calculated Property |
| Cp,gas | 331.02 | J/mol×K | 550.09 | Joback Calculated Property |
| Cp,gas | 342.03 | J/mol×K | 580.34 | Joback Calculated Property |
| Cp,gas | 352.58 | J/mol×K | 610.58 | Joback Calculated Property |
| Cp,gas | 362.65 | J/mol×K | 640.82 | Joback Calculated Property |
| Cp,gas | 372.26 | J/mol×K | 671.06 | Joback Calculated Property |
Similar Compounds
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Sources
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