- InChI
- InChI=1S/C11H9F5O2/c1-2-7-4-3-5-8(6-7)18-9(17)10(12,13)11(14,15)16/h3-6H,2H2,1H3
- InChI Key
- YTCZUNLWTSOWCF-UHFFFAOYSA-N
- Formula
- C11H9F5O2
- SMILES
-
CCc1cccc(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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5243 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -1377.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.352 | Crippen Calculated Property | |
| McVol | 158.380 | ml/mol | McGowan Calculated Property |
| Pc | 2183.60 | kPa | Joback Calculated Property |
| Inp | [1068.00; 1068.00] |
|
|
| Inp | 1068.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Tboil | 457.37 | K | Relay (1.0) Calculated Property |
| Tc | 626.59 | K | Relay (1.0) Calculated Property |
| Tfus | 224.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.573 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.54; 511.66] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.97990e+01 | |||
| Coefficient B | 1.16622e+00 | |||
| Coefficient C | -8.69760e-04 | |||
| Coefficient D | 2.35000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 238.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 294.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 342.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 382.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 416.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 443.98 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 466.73 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 485.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 499.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 511.66 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ethylphenol, O-pentafluoropropionyl-.
Sources
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