- InChI
- InChI=1S/C11H13F3O/c1-7(2)5-15-6-8-9(12)3-4-10(13)11(8)14/h3-4,7H,5-6H2,1-2H3
- InChI Key
- ZGUNIAKZQGMBSD-UHFFFAOYSA-N
- Formula
- C11H13F3O
- SMILES
- CC(C)COCc1c(F)ccc(F)c1F
- Molecular Weight1
- 218.22
- 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° | -566.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -794.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.87 | Crippen Calculated Property | |
| logPoct/wat | 3.276 | Crippen Calculated Property | |
| McVol | 153.270 | ml/mol | McGowan Calculated Property |
| Pc | 2200.01 | kPa | Joback Calculated Property |
| Inp | 1198.00 | NIST | |
| Tboil | 512.49 | K | Joback Calculated Property |
| Tc | 692.17 | K | Joback Calculated Property |
| Tfus | 286.71 | K | Joback Calculated Property |
| Vc | 0.610 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.76; 421.43] | J/mol×K | [512.49; 692.17] | 
|
| Cp,gas | 351.76 | J/mol×K | 512.49 | Joback Calculated Property |
| Cp,gas | 364.68 | J/mol×K | 542.44 | Joback Calculated Property |
| Cp,gas | 377.06 | J/mol×K | 572.38 | Joback Calculated Property |
| Cp,gas | 388.92 | J/mol×K | 602.33 | Joback Calculated Property |
| Cp,gas | 400.27 | J/mol×K | 632.28 | Joback Calculated Property |
| Cp,gas | 411.10 | J/mol×K | 662.22 | Joback Calculated Property |
| Cp,gas | 421.43 | J/mol×K | 692.17 | Joback Calculated Property |
Similar Compounds
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Sources
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