- InChI
- InChI=1S/C12H2F6O2/c13-3-1-5(15)9-11(7(3)17)20-10-6(16)2-4(14)8(18)12(10)19-9/h1-2H
- InChI Key
- FOADTOVERZWUIR-UHFFFAOYSA-N
- Formula
- C12H2F6O2
- SMILES
-
Fc1cc(F)c2c(c1F)Oc1c(F)cc(F)c(
F)c1O2 - Molecular Weight1
- 292.13
- ω : Acentric Factor.
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.5918 | Relay (... Calculated Property | |
| ΔfG° | -1062.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -990.26 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 45.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.02 | kJ/mol | Relay (... Calculated Property |
| IE | 8.63 | eV | Relay (... Calculated Property |
| log10WS | -8.38 | Relay (... Calculated Property | |
| logPoct/wat | 4.419 | Crippen Calculated Property | |
| McVol | 143.920 | ml/mol | McGowan Calculated Property |
| Pc | 2555.92 | kPa | Joback Calculated Property |
| Inp | [1500.00; 1500.00] |
|
|
| Inp | 1500.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Tboil | 501.71 | K | Relay (... Calculated Property |
| Tc | 792.68 | K | Relay (... Calculated Property |
| Tfus | 424.39 | K | Relay (... Calculated Property |
| Vc | 0.590 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [358.90; 401.68] | J/mol×K | [623.82; 820.08] |
|
| Cp,gas | 358.90 | J/mol×K | 623.82 | Joback Calculated Property |
| Cp,gas | 367.20 | J/mol×K | 656.53 | Joback Calculated Property |
| Cp,gas | 374.98 | J/mol×K | 689.24 | Joback Calculated Property |
| Cp,gas | 382.29 | J/mol×K | 721.95 | Joback Calculated Property |
| Cp,gas | 389.16 | J/mol×K | 754.66 | Joback Calculated Property |
| Cp,gas | 395.61 | J/mol×K | 787.37 | Joback Calculated Property |
| Cp,gas | 401.68 | J/mol×K | 820.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4,6,7,9-Hexafluoro DBD.
Sources
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