- InChI
- InChI=1S/C20H21F3O2/c1-14(2)8-10-18(12-15(3)4)25-19(24)11-9-16-6-5-7-17(13-16)20(21,22)23/h5-7,9,11,13,15,18H,1,12H2,2-4H3/b11-9+
- InChI Key
- SHHAYAGTYIIKAS-PKNBQFBNSA-N
- Formula
- C20H21F3O2
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)C=Cc1c
ccc(C(F)(F)F)c1 - Molecular Weight1
- 350.37
- 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° | -237.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -578.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.20 | kJ/mol | Joback Calculated Property |
| log10WS | -6.38 | Crippen Calculated Property | |
| logPoct/wat | 5.256 | Crippen Calculated Property | |
| McVol | 264.450 | ml/mol | McGowan Calculated Property |
| Pc | 1460.13 | kPa | Joback Calculated Property |
| Inp | [2023.00; 2023.00] |
|
|
| Inp | 2023.00 | NIST | |
| Inp | 2023.00 | NIST | |
| Tboil | 768.37 | K | Joback Calculated Property |
| Tc | 979.33 | K | Joback Calculated Property |
| Tfus | 485.75 | K | Joback Calculated Property |
| Vc | 1.026 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [753.18; 834.02] | J/mol×K | [768.37; 979.33] |
|
| Cp,gas | 753.18 | J/mol×K | 768.37 | Joback Calculated Property |
| Cp,gas | 769.04 | J/mol×K | 803.53 | Joback Calculated Property |
| Cp,gas | 783.84 | J/mol×K | 838.69 | Joback Calculated Property |
| Cp,gas | 797.66 | J/mol×K | 873.85 | Joback Calculated Property |
| Cp,gas | 810.58 | J/mol×K | 909.01 | Joback Calculated Property |
| Cp,gas | 822.67 | J/mol×K | 944.17 | Joback Calculated Property |
| Cp,gas | 834.02 | J/mol×K | 979.33 | Joback Calculated Property |
Similar Compounds
Sources
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