- InChI
- InChI=1S/C9H14BrF3O2/c1-3-6(4-2)8(14)15-7(5-10)9(11,12)13/h6-7H,3-5H2,1-2H3
- InChI Key
- UABXDKCZFCHYFO-UHFFFAOYSA-N
- Formula
- C9H14BrF3O2
- SMILES
- CCC(CC)C(=O)OC(CBr)C(F)(F)F
- Molecular Weight1
- 291.11
- 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° | -781.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1055.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.70 | kJ/mol | Joback Calculated Property |
| log10WS | -3.42 | Crippen Calculated Property | |
| logPoct/wat | 3.292 | Crippen Calculated Property | |
| McVol | 167.920 | ml/mol | McGowan Calculated Property |
| Pc | 2340.56 | kPa | Joback Calculated Property |
| Inp | 1056.00 | NIST | |
| Tboil | 541.47 | K | Joback Calculated Property |
| Tc | 721.08 | K | Joback Calculated Property |
| Tfus | 297.34 | K | Joback Calculated Property |
| Vc | 0.656 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.49; 459.58] | J/mol×K | [541.47; 721.08] | 
|
| Cp,gas | 394.49 | J/mol×K | 541.47 | Joback Calculated Property |
| Cp,gas | 406.92 | J/mol×K | 571.41 | Joback Calculated Property |
| Cp,gas | 418.68 | J/mol×K | 601.34 | Joback Calculated Property |
| Cp,gas | 429.80 | J/mol×K | 631.28 | Joback Calculated Property |
| Cp,gas | 440.31 | J/mol×K | 661.21 | Joback Calculated Property |
| Cp,gas | 450.23 | J/mol×K | 691.15 | Joback Calculated Property |
| Cp,gas | 459.58 | J/mol×K | 721.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 1-bromo-3,3,3-trifluoroprop-2-yl ester.
Sources
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