- 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.58; 492.74] | J/mol×K | [508.24; 669.90] |
|
| Cp,gas | 418.58 | J/mol×K | 508.24 | Joback Calculated Property |
| Cp,gas | 432.55 | J/mol×K | 535.18 | Joback Calculated Property |
| Cp,gas | 445.85 | J/mol×K | 562.13 | Joback Calculated Property |
| Cp,gas | 458.49 | J/mol×K | 589.07 | Joback Calculated Property |
| Cp,gas | 470.51 | J/mol×K | 616.02 | Joback Calculated Property |
| Cp,gas | 481.91 | J/mol×K | 642.96 | Joback Calculated Property |
| Cp,gas | 492.74 | J/mol×K | 669.90 | Joback 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
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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