- InChI
- InChI=1S/C13H7F11O2/c14-9(15)11(18,19)13(23,24)10(16,17)5-26-8(25)6-3-1-2-4-7(6)12(20,21)22/h1-4,9H,5H2
- InChI Key
- VPUHCVJRBSAKGV-UHFFFAOYSA-N
- Formula
- C13H7F11O2
- SMILES
-
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F
)F)c1ccccc1C(F)(F)F - Molecular Weight1
- 404.18
- 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° | -2206.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2528.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.07 | kJ/mol | Joback Calculated Property |
| log10WS | -5.75 | Crippen Calculated Property | |
| logPoct/wat | 5.033 | Crippen Calculated Property | |
| McVol | 197.180 | ml/mol | McGowan Calculated Property |
| Pc | 1580.97 | kPa | Joback Calculated Property |
| Inp | [1290.00; 1290.00] |
|
|
| Inp | 1290.00 | NIST | |
| Inp | 1290.00 | NIST | |
| Tboil | 583.40 | K | Joback Calculated Property |
| Tc | 744.47 | K | Joback Calculated Property |
| Tfus | 348.54 | K | Joback Calculated Property |
| Vc | 0.828 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [545.79; 606.06] | J/mol×K | [583.40; 744.47] |
|
| Cp,gas | 545.79 | J/mol×K | 583.40 | Joback Calculated Property |
| Cp,gas | 557.84 | J/mol×K | 610.24 | Joback Calculated Property |
| Cp,gas | 569.03 | J/mol×K | 637.09 | Joback Calculated Property |
| Cp,gas | 579.39 | J/mol×K | 663.93 | Joback Calculated Property |
| Cp,gas | 588.98 | J/mol×K | 690.78 | Joback Calculated Property |
| Cp,gas | 597.86 | J/mol×K | 717.62 | Joback Calculated Property |
| Cp,gas | 606.06 | J/mol×K | 744.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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