- InChI
- InChI=1S/C5H2F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1H2
- InChI Key
- QAMFBRUWYYMMGJ-UHFFFAOYSA-N
- Formula
- C5H2F6O2
- SMILES
- O=C(CC(=O)C(F)(F)F)C(F)(F)F
- Molecular Weight1
- 208.06
- CAS
- 1522-22-1
- Other Names
-
- 1,1,1,5,5,5-Hexafluoro-2,4-pentanedione
- 1,1,1,5,5,5-Hexafluoroacetylacetone
- 1,1,1,5,5,5-hexafluoropentane-2,4-dione
- 1,3-Bis(trifluoromethyl)propane-1,3-dione
- HEXAFLUORO-2,4-PENTANEDIONE
- Hexafluoroacetylacetone
- ω : Acentric Factor.
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.2780 | KDB | |
| ΔfG° | -1429.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1565.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [30.60; 30.66] | kJ/mol |
|
| ΔvapH° | 30.66 | kJ/mol | NIST |
| ΔvapH° | 30.60 ± 0.10 | kJ/mol | NIST |
| IE | [10.55; 10.74] | eV |
|
| IE | 10.55 ± 0.05 | eV | NIST |
| IE | 10.74 ± 0.07 | eV | NIST |
| log10WS | -1.80 | Crippen Calculated Property | |
| logPoct/wat | 1.639 | Crippen Calculated Property | |
| McVol | 95.070 | ml/mol | McGowan Calculated Property |
| Pc | [2767.00; 2867.16] | kPa |
|
| Pc | 2767.00 | kPa | KDB |
| Pc | 2867.16 ± 8.00 | kPa | NIST |
| Inp | 526.00 | NIST | |
| Tboil | [327.30; 343.20] | K |
|
| Tboil | 327.30 | K | KDB |
| Tboil | 343.00 | K | NIST |
| Tboil | 343.00 | K | NIST |
| Tboil | 343.20 | K | NIST |
| Tboil | 343.20 | K | NIST |
| Tc | [485.10; 485.10] | K |
|
| Tc | 485.10 | K | KDB |
| Tc | 485.10 ± 1.00 | K | NIST |
| Tfus | 254.35 | K | Joback Calculated Property |
| Vc | 0.290 ± 0.008 | m3/kmol | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.99; 251.51] | J/mol×K | [410.70; 568.69] |
|
| Cp,gas | 210.99 | J/mol×K | 410.70 | Joback Calculated Property |
| Cp,gas | 218.98 | J/mol×K | 437.03 | Joback Calculated Property |
| Cp,gas | 226.45 | J/mol×K | 463.36 | Joback Calculated Property |
| Cp,gas | 233.42 | J/mol×K | 489.69 | Joback Calculated Property |
| Cp,gas | 239.90 | J/mol×K | 516.03 | Joback Calculated Property |
| Cp,gas | 245.93 | J/mol×K | 542.36 | Joback Calculated Property |
| Cp,gas | 251.51 | J/mol×K | 568.69 | Joback Calculated Property |
| ΔvapH | [27.05; 33.10] | kJ/mol | [301.50; 343.20] |
|
| ΔvapH | 33.10 | kJ/mol | 301.50 | NIST |
| ΔvapH | 27.05 | kJ/mol | 343.20 | NIST |
Similar Compounds
Find more compounds similar to 2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro-.
Sources
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