- InChI
- InChI=1S/C4F6/c5-3(6,7)1-2-4(8,9)10
- InChI Key
- WBCLXFIDEDJGCC-UHFFFAOYSA-N
- Formula
- C4F6
- SMILES
- FC(F)(F)C#CC(F)(F)F
- Molecular Weight1
- 162.03
- CAS
- 692-50-2
- Other Names
-
- Bis(trifluoromethyl)acetylene
- Hexafluoro-2-butyne
- Perfluoro-2-butyne
- 1,1,1,4,4,4-Hexafluoro-2-butyne
- CF3C«equiv»CCF3
- Hexafluorobutyne-2
- 2-Butyne, hexafluoro-
- 1,1,1,4,4,4-hexafluorobut-2-yne
- 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).
- 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).
- 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° | -977.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1047.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 19.16 | kJ/mol | Joback Calculated Property |
| IE | [12.31; 12.35] | eV |
|
| IE | 12.35 ± 0.01 | eV | NIST |
| IE | 12.31 | eV | NIST |
| log10WS | -2.62 | Crippen Calculated Property | |
| logPoct/wat | 2.114 | Crippen Calculated Property | |
| McVol | 69.240 | ml/mol | McGowan Calculated Property |
| Pc | 3568.53 | kPa | Joback Calculated Property |
| Tboil | 248.50 | K | NIST |
| Tc | 439.33 | K | Joback Calculated Property |
| Tfus | 249.32 | K | Joback Calculated Property |
| Vc | 0.307 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [124.48; 160.27] | J/mol×K | [289.08; 439.33] |
|
| Cp,gas | 124.48 | J/mol×K | 289.08 | Joback Calculated Property |
| Cp,gas | 131.52 | J/mol×K | 314.12 | Joback Calculated Property |
| Cp,gas | 138.10 | J/mol×K | 339.16 | Joback Calculated Property |
| Cp,gas | 144.25 | J/mol×K | 364.20 | Joback Calculated Property |
| Cp,gas | 149.98 | J/mol×K | 389.25 | Joback Calculated Property |
| Cp,gas | 155.32 | J/mol×K | 414.29 | Joback Calculated Property |
| Cp,gas | 160.27 | J/mol×K | 439.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butyne, 1,1,1,4,4,4-hexafluoro-.
Sources
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