- InChI
- InChI=1S/C10H11F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h4H2,1-3H3
- InChI Key
- SQNZLBOJCWQLGQ-UHFFFAOYSA-N
- Formula
- C10H11F7O2
- SMILES
-
CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)
(F)C(F)(F)F - Molecular Weight1
- 296.18
- CAS
- 17587-22-3
- Other Names
-
- 1,1,1,2,2,3,3-Heptafluoro-7,7-dimethyl-4,6-octanedione
- 2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione
- 6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedione
- 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -1576.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1882.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.44 | kJ/mol | Joback Calculated Property |
| log10WS | -3.62 | Crippen Calculated Property | |
| logPoct/wat | 3.394 | Crippen Calculated Property | |
| McVol | 167.290 | ml/mol | McGowan Calculated Property |
| Pc | 1905.24 | kPa | Joback Calculated Property |
| Tboil | 517.91 | K | Joback Calculated Property |
| Tc | 682.52 | K | Joback Calculated Property |
| Tfus | 316.13 | K | Joback Calculated Property |
| Vc | 0.690 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.90; 499.81] | J/mol×K | [517.91; 682.52] | 
|
| Cp,gas | 434.90 | J/mol×K | 517.91 | Joback Calculated Property |
| Cp,gas | 447.82 | J/mol×K | 545.34 | Joback Calculated Property |
| Cp,gas | 459.83 | J/mol×K | 572.78 | Joback Calculated Property |
| Cp,gas | 470.98 | J/mol×K | 600.21 | Joback Calculated Property |
| Cp,gas | 481.33 | J/mol×K | 627.65 | Joback Calculated Property |
| Cp,gas | 490.92 | J/mol×K | 655.08 | Joback Calculated Property |
| Cp,gas | 499.81 | J/mol×K | 682.52 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [319.50; 319.70] | K | [0.70; 0.70] |
|
| Tboilr | 319.50 ± 0.50 | K | 0.70 | NIST |
| Tboilr | 319.70 | K | 0.70 | NIST |
Similar Compounds
Find more compounds similar to 3,5-Octanedione, 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-.
Sources
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