- InChI
- InChI=1S/C11H15F7O2/c1-4-5-7(6(2)3)20-8(19)9(12,13)10(14,15)11(16,17)18/h6-7H,4-5H2,1-3H3
- InChI Key
- YLGXFNAUUDIQQJ-UHFFFAOYSA-N
- Formula
- C11H15F7O2
- SMILES
-
CCCC(OC(=O)C(F)(F)C(F)(F)C(F)(
F)F)C(C)C - Molecular Weight1
- 312.22
- 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.
- 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° | -1552.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1924.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.85 | kJ/mol | Joback Calculated Property |
| log10WS | -4.45 | Crippen Calculated Property | |
| logPoct/wat | 4.187 | Crippen Calculated Property | |
| McVol | 185.680 | ml/mol | McGowan Calculated Property |
| Pc | 1639.10 | kPa | Joback Calculated Property |
| Inp | [916.00; 916.00] |
|
|
| Inp | 916.00 | NIST | |
| Inp | 916.00 | NIST | |
| Tboil | 511.69 | K | Joback Calculated Property |
| Tc | 664.78 | K | Joback Calculated Property |
| Tfus | 267.28 | K | Joback Calculated Property |
| Vc | 0.756 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [481.38; 554.93] | J/mol×K | [511.69; 664.78] |
|
| Cp,gas | 481.38 | J/mol×K | 511.69 | Joback Calculated Property |
| Cp,gas | 495.43 | J/mol×K | 537.20 | Joback Calculated Property |
| Cp,gas | 508.72 | J/mol×K | 562.72 | Joback Calculated Property |
| Cp,gas | 521.29 | J/mol×K | 588.23 | Joback Calculated Property |
| Cp,gas | 533.16 | J/mol×K | 613.75 | Joback Calculated Property |
| Cp,gas | 544.36 | J/mol×K | 639.26 | Joback Calculated Property |
| Cp,gas | 554.93 | J/mol×K | 664.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-3-hexanol, heptafluorobutyrate.
Sources
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