![Bicyclo[2.2.0]hexa-2,5-diene,1,2,3,4,5,6-hexafluoro-](/cid/63-407-0/Bicyclo-2-2-0-hexa-2-5-diene-1-2-3-4-5-6-hexafluoro.png "Bicyclo[2.2.0]hexa-2,5-diene,1,2,3,4,5,6-hexafluoro-")
- InChI
- InChI=1S/C6F6/c7-1-2(8)6(12)4(10)3(9)5(1,6)11
- InChI Key
- NYGMLGNCZOOGFI-UHFFFAOYSA-N
- Formula
- C6F6
- SMILES
- FC1=C(F)C2(F)C(F)=C(F)C12F
- Molecular Weight1
- 186.05
- CAS
- 6733-01-3
- Other Names
-
- Perfluorobicyclo[2.2.0]hexa-2,5-diene
- Hexafluorobicyclo[2.2.0]hexa-2,5-diene
- Dewar hexafluorobenzene
- Bicyclo[2.2.0]hexa-2,5-diene, hexafluoro-
- 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° | -1037.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1098.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 24.80 | kJ/mol | Joback Calculated Property |
| IE | [10.08; 10.40] | eV |
|
| IE | 10.40 ± 0.10 | eV | NIST |
| IE | 10.08 ± 0.05 | eV | NIST |
| IE | 10.40 | eV | NIST |
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 2.731 | Crippen Calculated Property | |
| McVol | 75.700 | ml/mol | McGowan Calculated Property |
| Pc | 3452.08 | kPa | Joback Calculated Property |
| Tboil | 364.50 | K | Joback Calculated Property |
| Tc | 525.14 | K | Joback Calculated Property |
| Tfus | 296.20 | K | Joback Calculated Property |
| Vc | 0.361 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.76; 196.67] | J/mol×K | [364.50; 525.14] |
|
| Cp,gas | 160.76 | J/mol×K | 364.50 | Joback Calculated Property |
| Cp,gas | 168.86 | J/mol×K | 391.27 | Joback Calculated Property |
| Cp,gas | 176.00 | J/mol×K | 418.05 | Joback Calculated Property |
| Cp,gas | 182.26 | J/mol×K | 444.82 | Joback Calculated Property |
| Cp,gas | 187.73 | J/mol×K | 471.60 | Joback Calculated Property |
| Cp,gas | 192.50 | J/mol×K | 498.37 | Joback Calculated Property |
| Cp,gas | 196.67 | J/mol×K | 525.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bicyclo[2.2.0]hexa-2,5-diene,1,2,3,4,5,6-hexafluoro-.
Sources
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