- InChI
- InChI=1S/C6Br2F12/c7-5(17,18)3(13,14)1(9,10)2(11,12)4(15,16)6(8,19)20
- InChI Key
- SWAPKQWKFYIOJS-UHFFFAOYSA-N
- Formula
- C6Br2F12
- SMILES
-
FC(F)(Br)C(F)(F)C(F)(F)C(F)(F)
C(F)(F)C(F)(F)Br - Molecular Weight1
- 459.85
- CAS
- 918-22-9
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4994 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -2534.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.72 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.503 | Crippen Calculated Property | |
| McVol | 151.640 | ml/mol | McGowan Calculated Property |
| Pc | 2306.95 | kPa | Joback Calculated Property |
| Tboil | 405.01 | K | Relay (1.0) Calculated Property |
| Tc | 557.39 | K | Relay (1.0) Calculated Property |
| Tfus | 233.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.628 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.36; 440.67] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.99300e+01 | |||
| Coefficient B | 1.54660e+00 | |||
| Coefficient C | -1.67300e-03 | |||
| Coefficient D | 6.27000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 250.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 305.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 347.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 378.60 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 400.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 414.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 424.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 430.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 435.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 440.67 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 1,6-dibromo-dodecafluoro-.
Sources
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