- InChI
- InChI=1S/C12H17F7O2/c1-3-4-5-6-7-8(2)21-9(20)10(13,14)11(15,16)12(17,18)19/h8H,3-7H2,1-2H3
- InChI Key
- CQNVNDNWIKZAAI-UHFFFAOYSA-N
- Formula
- C12H17F7O2
- SMILES
-
CCCCCCC(C)OC(=O)C(F)(F)C(F)(F)
C(F)(F)F - Molecular Weight1
- 326.25
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -1541.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1940.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.47 | kJ/mol | Joback Calculated Property |
| log10WS | -5.11 | Crippen Calculated Property | |
| logPoct/wat | 4.721 | Crippen Calculated Property | |
| McVol | 199.770 | ml/mol | McGowan Calculated Property |
| Pc | 1509.33 | kPa | Joback Calculated Property |
| Inp | [1032.00; 1051.70] |
|
|
| Inp | 1032.00 | NIST | |
| Inp | 1051.70 | NIST | |
| Inp | 1051.70 | NIST | |
| Inp | 1032.00 | NIST | |
| I | [1101.00; 1101.00] |
|
|
| I | 1101.00 | NIST | |
| I | 1101.00 | NIST | |
| Tboil | 535.01 | K | Joback Calculated Property |
| Tc | 685.56 | K | Joback Calculated Property |
| Tfus | 293.55 | K | Joback Calculated Property |
| Vc | 0.819 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [529.93; 604.87] | J/mol×K | [535.01; 685.56] |
|
| Cp,gas | 529.93 | J/mol×K | 535.01 | Joback Calculated Property |
| Cp,gas | 544.18 | J/mol×K | 560.10 | Joback Calculated Property |
| Cp,gas | 557.68 | J/mol×K | 585.19 | Joback Calculated Property |
| Cp,gas | 570.47 | J/mol×K | 610.28 | Joback Calculated Property |
| Cp,gas | 582.58 | J/mol×K | 635.37 | Joback Calculated Property |
| Cp,gas | 594.03 | J/mol×K | 660.47 | Joback Calculated Property |
| Cp,gas | 604.87 | J/mol×K | 685.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Octanol, heptafluorobutyrate.
Sources
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