- InChI
- InChI=1S/C11H17F3O2/c1-2-3-4-5-6-7-8-9-16-10(15)11(12,13)14/h6-7H,2-5,8-9H2,1H3/b7-6+
- InChI Key
- LYTSCVXMFNQMSH-SREVYHEPSA-N
- Formula
- C11H17F3O2
- SMILES
- CCCCC/C=C\CCOC(=O)C(F)(F)F
- Molecular Weight1
- 238.25
- 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).
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1074.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.619 | Crippen Calculated Property | |
| McVol | 174.300 | ml/mol | McGowan Calculated Property |
| Inp | [1146.30; 1147.90] |
|
|
| Inp | 1146.30 | NIST | |
| Inp | 1147.90 | NIST | |
| Inp | 1146.30 | NIST | |
| Tboil | 455.02 | K | Relay (1.0) Calculated Property |
| Tc | 591.46 | K | Relay (1.0) Calculated Property |
| Tfus | 195.74 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, 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 | [264.30; 587.04] | 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 | -2.08400e+00 | |||
| Coefficient B | 1.17522e+00 | |||
| Coefficient C | -7.84800e-04 | |||
| Coefficient D | 1.98700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 264.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 324.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 376.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 422.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 461.69 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 495.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 524.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 548.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 569.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 587.04 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-3-Nonen-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
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