- InChI
- InChI=1S/C9H11F5O2/c1-2-3-4-5-6-16-7(15)8(10,11)9(12,13)14/h3-4H,2,5-6H2,1H3
- InChI Key
- OVQXQNIONBVMIU-ARJAWSKDSA-N
- Formula
- C9H11F5O2
- SMILES
- CC/C=C\CCOC(=O)C(F)(F)C(F)(F)F
- Molecular Weight1
- 246.18
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1454.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.27 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.083 | Crippen Calculated Property | |
| McVol | 149.660 | ml/mol | McGowan Calculated Property |
| Inp | [883.50; 883.50] |
|
|
| Inp | 883.50 | NIST | |
| Inp | 883.50 | NIST | |
| Tboil | 405.99 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [353.02; 415.95] | J/mol×K | [475.66; 635.86] |
|
| Cp,gas | 353.02 | J/mol×K | 475.66 | Joback Calculated Property |
| Cp,gas | 365.07 | J/mol×K | 502.36 | Joback Calculated Property |
| Cp,gas | 376.47 | J/mol×K | 529.06 | Joback Calculated Property |
| Cp,gas | 387.22 | J/mol×K | 555.76 | Joback Calculated Property |
| Cp,gas | 397.37 | J/mol×K | 582.46 | Joback Calculated Property |
| Cp,gas | 406.94 | J/mol×K | 609.16 | Joback Calculated Property |
| Cp,gas | 415.95 | J/mol×K | 635.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cis-3-hexen-1-ol, pentafluoropropionate.
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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