- InChI
- InChI=1S/C16H23F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-25-13(24)14(17,18)15(19,20)16(21,22)23/h10-11H,2-9,12H2,1H3/b11-10+
- InChI Key
- KZMYZWHQTQVIND-ZHACJKMWSA-N
- Formula
- C16H23F7O2
- SMILES
-
CCCCCCCCC/C=C/COC(=O)C(F)(F)C(
F)(F)C(F)(F)F - Molecular Weight1
- 380.34
- 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).
- 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° | 41.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.49 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.059 | Crippen Calculated Property | |
| McVol | 251.830 | ml/mol | McGowan Calculated Property |
| Inp | 1481.20 | NIST | |
| Tboil | 501.37 | K | Relay (1.0) Calculated Property |
| Tc | 631.30 | K | Relay (1.0) Calculated Property |
| Tfus | 229.88 | 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, 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 | [710.58; 792.23] | J/mol×K | [613.26; 765.83] | 
|
| Cp,gas | 710.58 | J/mol×K | 613.26 | Joback Calculated Property |
| Cp,gas | 726.16 | J/mol×K | 638.69 | Joback Calculated Property |
| Cp,gas | 740.90 | J/mol×K | 664.12 | Joback Calculated Property |
| Cp,gas | 754.83 | J/mol×K | 689.54 | Joback Calculated Property |
| Cp,gas | 768.00 | J/mol×K | 714.97 | Joback Calculated Property |
| Cp,gas | 780.45 | J/mol×K | 740.40 | Joback Calculated Property |
| Cp,gas | 792.23 | J/mol×K | 765.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-2-Dodecen-1-ol, heptafluorobutyrate.
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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