- InChI
- InChI=1S/C4HClF6/c5-2(4(9,10)11)1-3(6,7)8/h1H/b2-1-
- InChI Key
- JRENXZBKMHPULY-UPHRSURJSA-N
- Formula
- C4HClF6
- SMILES
- FC(F)(F)C=C(Cl)C(F)(F)F
- Molecular Weight1
- 198.49
- CAS
- 400-44-2
- Other Names
-
- 2-Chloro-1,1,1,4,4,4-hexafluorobutene-2
- CHFB
- 1,1,1,4,4,4-Hexafluoro-2-chloro-2-butene
- 1,1,1,4,4,4-Hexafluoro-2-chlorobut-2-ene
- 2-Chloro-1,1,1,4,4,4-hexafluoro-2-butene
- 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).
- 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° | -1120.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1228.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 21.43 | kJ/mol | Joback Calculated Property |
| log10WS | -3.32 | Crippen Calculated Property | |
| logPoct/wat | 3.234 | Crippen Calculated Property | |
| McVol | 85.780 | ml/mol | McGowan Calculated Property |
| Pc | 3038.96 | kPa | Joback Calculated Property |
| Tboil | 306.50 ± 0.50 | K | NIST |
| Tc | 471.60 | K | Joback Calculated Property |
| Tfus | 154.10 | K | Joback Calculated Property |
| Vc | 0.376 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [153.83; 194.94] | J/mol×K | [321.55; 471.60] | 
|
| Cp,gas | 153.83 | J/mol×K | 321.55 | Joback Calculated Property |
| Cp,gas | 162.03 | J/mol×K | 346.56 | Joback Calculated Property |
| Cp,gas | 169.66 | J/mol×K | 371.57 | Joback Calculated Property |
| Cp,gas | 176.74 | J/mol×K | 396.58 | Joback Calculated Property |
| Cp,gas | 183.30 | J/mol×K | 421.59 | Joback Calculated Property |
| Cp,gas | 189.36 | J/mol×K | 446.59 | Joback Calculated Property |
| Cp,gas | 194.94 | J/mol×K | 471.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butene, 2-chloro-1,1,1,4,4,4-hexafluoro-.
Sources
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