- InChI
- InChI=1S/C5Cl2F6O2/c6-1(14)3(8,9)5(12,13)4(10,11)2(7)15
- InChI Key
- QOLALWJWCONGMG-UHFFFAOYSA-N
- Formula
- C5Cl2F6O2
- SMILES
-
O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(
=O)Cl - Molecular Weight1
- 276.95
- Other Names
-
- Perfluoroglutaryl chloride
- Pentanedioyl dichloride, hexafluoro-
- Glutaryl chloride, hexafluoro-
- hexafluoroglutaryl dichloride
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1620.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.54 | kJ/mol | Joback Calculated Property |
| IE | 10.81 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.423 | Crippen Calculated Property | |
| McVol | 119.550 | ml/mol | McGowan Calculated Property |
| Tboil | 384.00 | K | NIST |
| Tfus | 272.59 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 | [185.02; 318.69] | 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 | 1.97000e+00 | |||
| Coefficient B | 8.84600e-01 | |||
| Coefficient C | -8.65400e-04 | |||
| Coefficient D | 2.97520e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 185.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 219.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 247.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 268.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 284.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 296.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 304.82 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 310.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 314.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 318.69 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexafluoroglutaryl chloride.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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