- InChI
- InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9
- InChI Key
- VBZWSGALLODQNC-UHFFFAOYSA-N
- Formula
- C3F6O
- SMILES
- O=C(C(F)(F)F)C(F)(F)F
- Molecular Weight1
- 166.02
- CAS
- 684-16-2
- Other Names
-
- (CF3)2CO
- 1,1,1,3,3,3-Hexafluoro-2-propanone
- 2-Propanone, hexafluoro-
- 6FK
- Acetone, hexafluoro-
- GC 7887
- HEXAFLUOROACETONE
- Hexafluoropropanone
- NCI-C56440
- NSC 202438
- PERFLUOROACETONE
- Perfluoro-2-propanone
- UN 2420
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- ΔvapS : Entropy of vaporization at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3650 | KDB | |
| PAff | 670.40 | kJ/mol | NIST |
| BasG | 639.70 | kJ/mol | NIST |
| EA | 0.44 | eV | NIST |
| ΔfG° | -1317.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1411.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 21.52 | kJ/mol | Joback Calculated Property |
| IE | [11.44; 12.09] | eV |
|
| IE | 11.57 ± 0.13 | eV | NIST |
| IE | 11.44 | eV | NIST |
| IE | 11.68 | eV | NIST |
| IE | 12.09 ± 0.02 | eV | NIST |
| log10WS | -1.68 | Crippen Calculated Property | |
| logPoct/wat | 1.680 | Crippen Calculated Property | |
| McVol | 65.320 | ml/mol | McGowan Calculated Property |
| Pc | [2832.00; 2840.00] | kPa |
|
| Pc | 2840.00 | kPa | KDB |
| Pc | 2832.00 ± 3.44 | kPa | NIST |
| ρc | 504.71 ± 5.05 | kg/m3 | NIST |
| S°liquid | 286.60 | J/mol×K | NIST |
| Tboil | [245.20; 247.20] | K |
|
| Tboil | 245.70 | K | KDB |
| Tboil | 247.20 | K | NIST |
| Tboil | 245.70 | K | NIST |
| Tboil | 245.20 | K | NIST |
| Tc | [357.14; 357.14] | K |
|
| Tc | 357.14 | K | KDB |
| Tc | 357.14 ± 0.20 | K | NIST |
| Tfus | 148.00 | K | KDB |
| Ttriple | 147.70 ± 0.02 | K | NIST |
| Vc | 0.329 | m3/kmol | KDB |
| Zc | 0.3146580 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [127.89; 162.11] | J/mol×K | [311.07; 454.82] |
|
| Cp,gas | 127.89 | J/mol×K | 311.07 | Joback Calculated Property |
| Cp,gas | 134.60 | J/mol×K | 335.03 | Joback Calculated Property |
| Cp,gas | 140.89 | J/mol×K | 358.99 | Joback Calculated Property |
| Cp,gas | 146.77 | J/mol×K | 382.94 | Joback Calculated Property |
| Cp,gas | 152.25 | J/mol×K | 406.90 | Joback Calculated Property |
| Cp,gas | 157.36 | J/mol×K | 430.86 | Joback Calculated Property |
| Cp,gas | 162.11 | J/mol×K | 454.82 | Joback Calculated Property |
| Cp,liquid | 181.29 | J/mol×K | 245.00 | NIST |
| ΔfusH | [8.38; 8.38] | kJ/mol | [147.70; 147.70] |
|
| ΔfusH | 8.38 | kJ/mol | 147.70 | NIST |
| ΔfusH | 8.38 | kJ/mol | 147.70 | NIST |
| ΔvapH | 21.61 | kJ/mol | 245.87 | NIST |
| ΔfusS | 56.75 | J/mol×K | 147.70 | NIST |
| ΔvapS | 87.91 | J/mol×K | 245.87 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 2837.03] | kPa | [180.83; 357.14] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42172e+01 | |||
| Coefficient B | -2.00849e+03 | |||
| Coefficient C | -3.66370e+01 | |||
| Temperature range, min. | 180.83 | |||
| Temperature range, max. | 357.14 | |||
| Pvap | 1.33 | kPa | 180.83 | Calculated Property |
| Pvap | 7.06 | kPa | 200.42 | Calculated Property |
| Pvap | 26.16 | kPa | 220.01 | Calculated Property |
| Pvap | 75.29 | kPa | 239.60 | Calculated Property |
| Pvap | 179.90 | kPa | 259.19 | Calculated Property |
| Pvap | 373.36 | kPa | 278.78 | Calculated Property |
| Pvap | 694.63 | kPa | 298.37 | Calculated Property |
| Pvap | 1185.30 | kPa | 317.96 | Calculated Property |
| Pvap | 1886.62 | kPa | 337.55 | Calculated Property |
| Pvap | 2837.03 | kPa | 357.14 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanone, 1,1,1,3,3,3-hexafluoro-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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