- InChI
- InChI=1S/C6F6/c7-5(8,9)3-1-2-4-6(10,11)12
- InChI Key
- IUMBVSOABSWHBN-UHFFFAOYSA-N
- Formula
- C6F6
- SMILES
- FC(F)(F)C#CC#CC(F)(F)F
- Molecular Weight1
- 186.05
- CAS
- 10524-09-1
- Other Names
-
- 2,4-Hexadiyne, 1,1,1,6,6,6-hexafluoro-
- 2,4-Hexadiyne, hexafluoro-
- Perfluorohexa-2,4-diyne
- Hexafluoro-2,4-hexadiyne
- Hexafluorohexa-2,4-diyne
- 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° | -757.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -816.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 25.76 | kJ/mol | Joback Calculated Property |
| IE | [10.99; 11.50] | eV |
|
| IE | 11.50 ± 0.10 | eV | NIST |
| IE | 10.99 ± 0.01 | eV | NIST |
| log10WS | -3.25 | Crippen Calculated Property | |
| logPoct/wat | 2.118 | Crippen Calculated Property | |
| McVol | 88.820 | ml/mol | McGowan Calculated Property |
| Pc | 3435.91 | kPa | Joback Calculated Property |
| Tboil | 343.84 | K | Joback Calculated Property |
| Tc | 520.04 | K | Joback Calculated Property |
| Tfus | 377.96 | K | Joback Calculated Property |
| Vc | 0.382 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.99; 206.38] | J/mol×K | [343.84; 520.04] |
|
| Cp,gas | 166.99 | J/mol×K | 343.84 | Joback Calculated Property |
| Cp,gas | 174.93 | J/mol×K | 373.21 | Joback Calculated Property |
| Cp,gas | 182.28 | J/mol×K | 402.57 | Joback Calculated Property |
| Cp,gas | 189.07 | J/mol×K | 431.94 | Joback Calculated Property |
| Cp,gas | 195.33 | J/mol×K | 461.31 | Joback Calculated Property |
| Cp,gas | 201.09 | J/mol×K | 490.68 | Joback Calculated Property |
| Cp,gas | 206.38 | J/mol×K | 520.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to CF3C«equiv»CC«equiv»CCF3.
Sources
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