- InChI
- InChI=1S/C12H17F5O2/c1-2-3-4-5-6-7-8-9-19-10(18)11(13,14)12(15,16)17/h6-7H,2-5,8-9H2,1H3/b7-6+
- InChI Key
- VXZOOHSAUUTTGX-SREVYHEPSA-N
- Formula
- C12H17F5O2
- SMILES
-
CCCCC/C=C\CCOC(=O)C(F)(F)C(F)(
F)F - Molecular Weight1
- 288.26
- 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).
- 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 |
|---|---|---|---|
| ΔfH°gas | -1521.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.70 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.254 | Crippen Calculated Property | |
| McVol | 191.930 | ml/mol | McGowan Calculated Property |
| Inp | [1164.50; 1165.10] |
|
|
| Inp | 1164.50 | NIST | |
| Inp | 1165.10 | NIST | |
| Inp | 1164.50 | NIST | |
| Tboil | 449.82 | K | Relay (1.0) Calculated Property |
| Tc | 583.28 | K | Relay (1.0) Calculated Property |
| Tfus | 199.42 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.45; 654.24] | 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 | -1.52840e+01 | |||
| Coefficient B | 1.41962e+00 | |||
| Coefficient C | -1.04380e-03 | |||
| Coefficient D | 2.93700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 300.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 369.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 428.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 479.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 522.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 558.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 588.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 614.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 635.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 654.24 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-3-Nonen-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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