- InChI
- InChI=1S/C9H6F4O2/c10-7-4-2-1-3-6(7)5-15-8(14)9(11,12)13/h1-4H,5H2
- InChI Key
- LSTCWVISNNEWAM-UHFFFAOYSA-N
- Formula
- C9H6F4O2
- SMILES
- O=C(OCc1ccccc1F)C(F)(F)F
- Molecular Weight1
- 222.14
- 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° | -882.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1042.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.16 | kJ/mol | Joback Calculated Property |
| log10WS | -3.04 | Crippen Calculated Property | |
| logPoct/wat | 2.431 | Crippen Calculated Property | |
| McVol | 128.430 | ml/mol | McGowan Calculated Property |
| Pc | 2826.33 | kPa | Joback Calculated Property |
| Inp | [1003.00; 1003.00] |
|
|
| Inp | 1003.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Tboil | 507.12 | K | Joback Calculated Property |
| Tc | 695.63 | K | Joback Calculated Property |
| Tfus | 307.07 | K | Joback Calculated Property |
| Vc | 0.516 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.95; 348.45] | J/mol×K | [507.12; 695.63] |
|
| Cp,gas | 292.95 | J/mol×K | 507.12 | Joback Calculated Property |
| Cp,gas | 303.76 | J/mol×K | 538.54 | Joback Calculated Property |
| Cp,gas | 313.92 | J/mol×K | 569.96 | Joback Calculated Property |
| Cp,gas | 323.44 | J/mol×K | 601.37 | Joback Calculated Property |
| Cp,gas | 332.35 | J/mol×K | 632.79 | Joback Calculated Property |
| Cp,gas | 340.68 | J/mol×K | 664.21 | Joback Calculated Property |
| Cp,gas | 348.45 | J/mol×K | 695.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluorobenzyl trifluoroacetate.
Sources
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