- InChI
- InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10
- InChI Key
- LGPPATCNSOSOQH-UHFFFAOYSA-N
- Formula
- C4F6
- SMILES
- FC(F)=C(F)C(F)=C(F)F
- Molecular Weight1
- 162.03
- CAS
- 685-63-2
- Other Names
-
- Hexafluoro-1,3-butadiene
- Perfluoro-1,3-butadiene
- 1,1,2,3,4,4-Hexafluoro-1,3-butadiene
- CF2=CFCF=CF2
- Perfluorobutadiene-1,3
- Hexafluorobutadiene-1,3
- 1,1,2,3,4,4-hexafluorobuta-1,3-diene
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (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° | -1059.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -942.20 | kJ/mol | NIST |
| ΔfusH° | 19.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 19.83 | kJ/mol | Joback Calculated Property |
| IE | 9.50 | eV | NIST |
| log10WS | -3.30 | Crippen Calculated Property | |
| logPoct/wat | 3.142 | Crippen Calculated Property | |
| McVol | 69.240 | ml/mol | McGowan Calculated Property |
| Pc | 3272.78 | kPa | Joback Calculated Property |
| Tboil | 279.50 ± 0.50 | K | NIST |
| Tc | 432.55 | K | Joback Calculated Property |
| Vc | 0.332 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [117.90; 148.61] | J/mol×K | [294.38; 432.55] | 
|
| Cp,gas | 117.90 | J/mol×K | 294.38 | Joback Calculated Property |
| Cp,gas | 123.78 | J/mol×K | 317.41 | Joback Calculated Property |
| Cp,gas | 129.34 | J/mol×K | 340.44 | Joback Calculated Property |
| Cp,gas | 134.59 | J/mol×K | 363.46 | Joback Calculated Property |
| Cp,gas | 139.55 | J/mol×K | 386.49 | Joback Calculated Property |
| Cp,gas | 144.21 | J/mol×K | 409.52 | Joback Calculated Property |
| Cp,gas | 148.61 | J/mol×K | 432.55 | Joback Calculated Property |
| ΔvapH | 25.90 | kJ/mol | 308.00 | NIST |
Similar Compounds
Find more compounds similar to 1,3-Butadiene, 1,1,2,3,4,4-hexafluoro-.
Sources
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