- InChI
- InChI=1S/C11H9F3O4/c1-6(15)7-3-4-8(9(5-7)17-2)18-10(16)11(12,13)14/h3-5H,1-2H3
- InChI Key
- SOSFUWVSIGJFHZ-UHFFFAOYSA-N
- Formula
- C11H9F3O4
- SMILES
-
COc1cc(C(C)=O)ccc1OC(=O)C(F)(F
)F - Molecular Weight1
- 262.18
- 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° | -914.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1143.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.25 | kJ/mol | Joback Calculated Property |
| log10WS | -3.23 | Crippen Calculated Property | |
| logPoct/wat | 2.365 | Crippen Calculated Property | |
| McVol | 162.280 | ml/mol | McGowan Calculated Property |
| Pc | 2507.52 | kPa | Joback Calculated Property |
| Inp | [1407.00; 1407.00] |
|
|
| Inp | 1407.00 | NIST | |
| Inp | 1407.00 | NIST | |
| Tboil | 634.88 | K | Joback Calculated Property |
| Tc | 834.77 | K | Joback Calculated Property |
| Tfus | 413.70 | K | Joback Calculated Property |
| Vc | 0.634 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [413.66; 470.61] | J/mol×K | [634.88; 834.77] |
|
| Cp,gas | 413.66 | J/mol×K | 634.88 | Joback Calculated Property |
| Cp,gas | 424.89 | J/mol×K | 668.20 | Joback Calculated Property |
| Cp,gas | 435.40 | J/mol×K | 701.51 | Joback Calculated Property |
| Cp,gas | 445.22 | J/mol×K | 734.83 | Joback Calculated Property |
| Cp,gas | 454.35 | J/mol×K | 768.14 | Joback Calculated Property |
| Cp,gas | 462.81 | J/mol×K | 801.46 | Joback Calculated Property |
| Cp,gas | 470.61 | J/mol×K | 834.77 | Joback Calculated Property |
Similar Compounds
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Sources
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