- InChI
- InChI=1S/C12H19F3O2/c1-2-3-4-5-6-7-8-9-10-17-11(16)12(13,14)15/h8-9H,2-7,10H2,1H3/b9-8+
- InChI Key
- WBRGXAXCDNMVNG-CMDGGOBGSA-N
- Formula
- C12H19F3O2
- SMILES
- CCCCCCCC=CCOC(=O)C(F)(F)F
- Molecular Weight1
- 252.27
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 33.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.009 | Crippen Calculated Property | |
| McVol | 188.390 | ml/mol | McGowan Calculated Property |
| Inp | [1253.50; 1253.50] |
|
|
| Inp | 1253.50 | NIST | |
| Inp | 1253.50 | NIST | |
| Tboil | 469.23 | K | Relay (1.0) Calculated Property |
| Tc | 606.48 | K | Relay (1.0) Calculated Property |
| Tfus | 223.58 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 | [285.52; 638.63] | 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 | -2.99300e+00 | |||
| Coefficient B | 1.27022e+00 | |||
| Coefficient C | -8.39200e-04 | |||
| Coefficient D | 2.10600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 285.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 350.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 407.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 457.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 500.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 537.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 569.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 596.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 619.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 638.63 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to trans-2-Decen-1-ol, trifluoroacetate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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