- InChI
- InChI=1S/C11H9F5O2/c1-6-3-7(2)5-8(4-6)18-9(17)10(12,13)11(14,15)16/h3-5H,1-2H3
- InChI Key
- DTZRJTHRASFXFS-UHFFFAOYSA-N
- Formula
- C11H9F5O2
- SMILES
-
Cc1cc(C)cc(OC(=O)C(F)(F)C(F)(F
)F)c1 - Molecular Weight1
- 268.18
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5386 | Relay (1.0) Calculated Property | |
| ΔfG° | -1067.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1395.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.406 | Crippen Calculated Property | |
| McVol | 158.380 | ml/mol | McGowan Calculated Property |
| Pc | 2237.64 | kPa | Joback Calculated Property |
| Tboil | 457.47 | K | Relay (1.0) Calculated Property |
| Tc | 630.65 | K | Relay (1.0) Calculated Property |
| Tfus | 261.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.577 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.86; 456.31] | J/mol×K | [553.90; 740.92] | 
|
| Cp,gas | 393.86 | J/mol×K | 553.90 | Joback Calculated Property |
| Cp,gas | 406.14 | J/mol×K | 585.07 | Joback Calculated Property |
| Cp,gas | 417.62 | J/mol×K | 616.24 | Joback Calculated Property |
| Cp,gas | 428.34 | J/mol×K | 647.41 | Joback Calculated Property |
| Cp,gas | 438.34 | J/mol×K | 678.58 | Joback Calculated Property |
| Cp,gas | 447.65 | J/mol×K | 709.75 | Joback Calculated Property |
| Cp,gas | 456.31 | J/mol×K | 740.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluoropropanoic acid, 3,5-dimethylphenyl ester.
Sources
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