- InChI
- InChI=1S/C3Cl6F2/c4-1(5,2(6,7)8)3(9,10)11
- InChI Key
- NKPXIDLSGFFJOI-UHFFFAOYSA-N
- Formula
- C3Cl6F2
- SMILES
- FC(F)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl
- Molecular Weight1
- 286.75
- CAS
- 661-96-1
- Other Names
-
- 1,1-Difluoro-1,2,2,3,3,3-hexachloro propane
- 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).
- 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 | 0.2792 | Relay (1.0) Calculated Property | |
| ΔfG° | -478.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -572.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.362 | Crippen Calculated Property | |
| McVol | 130.110 | ml/mol | McGowan Calculated Property |
| Pc | 3224.64 | kPa | Joback Calculated Property |
| Tboil | 452.55 | K | Relay (1.0) Calculated Property |
| Tc | 658.46 | K | Relay (1.0) Calculated Property |
| Tfus | 324.00 ± 1.00 | K | NIST |
| Vc | 0.465 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.57; 242.27] | 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 | 1.62700e+01 | |||
| Coefficient B | 7.30600e-01 | |||
| Coefficient C | -8.10000e-04 | |||
| Coefficient D | 3.05400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 161.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 186.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 205.86 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 219.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 228.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 234.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 237.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 239.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 240.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 242.27 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1,1,1,2,2,3-hexachloro-3,3-difluoro-.
Sources
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