- InChI
- InChI=1S/C12H9F7O2/c1-2-7-4-3-5-8(6-7)21-9(20)10(13,14)11(15,16)12(17,18)19/h3-6H,2H2,1H3
- InChI Key
- GQMIHPWXWPVYRJ-UHFFFAOYSA-N
- Formula
- C12H9F7O2
- SMILES
-
CCc1cccc(OC(=O)C(F)(F)C(F)(F)C
(F)(F)F)c1 - Molecular Weight1
- 318.19
- 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).
- 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 | 0.5654 | Relay (1.0) Calculated Property | |
| ΔfG° | -1436.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1792.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.987 | Crippen Calculated Property | |
| McVol | 176.010 | ml/mol | McGowan Calculated Property |
| Pc | 1947.51 | kPa | Joback Calculated Property |
| Inp | [1115.00; 1115.00] |
|
|
| Inp | 1115.00 | NIST | |
| Inp | 1115.00 | NIST | |
| Tboil | 470.00 | K | Relay (1.0) Calculated Property |
| Tc | 636.75 | K | Relay (1.0) Calculated Property |
| Tfus | 226.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.644 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.01; 524.87] | J/mol×K | [567.11; 744.88] |
|
| Cp,gas | 461.01 | J/mol×K | 567.11 | Joback Calculated Property |
| Cp,gas | 473.74 | J/mol×K | 596.74 | Joback Calculated Property |
| Cp,gas | 485.57 | J/mol×K | 626.37 | Joback Calculated Property |
| Cp,gas | 496.55 | J/mol×K | 655.99 | Joback Calculated Property |
| Cp,gas | 506.73 | J/mol×K | 685.62 | Joback Calculated Property |
| Cp,gas | 516.15 | J/mol×K | 715.25 | Joback Calculated Property |
| Cp,gas | 524.87 | J/mol×K | 744.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ethylphenol, O-heptafluorobutyryl-.
Sources
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