- 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [389.43; 455.14] | J/mol×K | [531.05; 714.44] |
|
| Cp,gas | 389.43 | J/mol×K | 531.05 | Joback Calculated Property |
| Cp,gas | 402.46 | J/mol×K | 561.61 | Joback Calculated Property |
| Cp,gas | 414.61 | J/mol×K | 592.18 | Joback Calculated Property |
| Cp,gas | 425.91 | J/mol×K | 622.74 | Joback Calculated Property |
| Cp,gas | 436.41 | J/mol×K | 653.31 | Joback Calculated Property |
| Cp,gas | 446.14 | J/mol×K | 683.87 | Joback Calculated Property |
| Cp,gas | 455.14 | J/mol×K | 714.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ethylphenol, O-pentafluoropropionyl-.
Sources
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