- InChI
- InChI=1S/C13H5F5O/c14-8-7(9(15)11(17)12(18)10(8)16)13(19)6-4-2-1-3-5-6/h1-5H
- InChI Key
- HCCPWBWOSASKLG-UHFFFAOYSA-N
- Formula
- C13H5F5O
- SMILES
-
O=C(c1ccccc1)c1c(F)c(F)c(F)c(F
)c1F - Molecular Weight1
- 272.17
- CAS
- 1536-23-8
- Other Names
-
- 2,3,4,5,6-Pentafluorobenzophenone
- Benzophenone, 2,3,4,5,6-pentafluoro-
- Benzoylpentafluorobenzene
- Pentafluorobenzophenone
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5652 | Relay (1.0) Calculated Property | |
| ΔfG° | -867.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -735.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.613 | Crippen Calculated Property | |
| McVol | 156.930 | ml/mol | McGowan Calculated Property |
| Pc | 2400.57 | kPa | Joback Calculated Property |
| Tboil | 546.49 | K | Relay (1.0) Calculated Property |
| Tc | 772.51 | K | Relay (1.0) Calculated Property |
| Tfus | 310.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.584 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [366.00; 366.20] | K | [0.03; 0.03] |
|
| Tboilr | 366.20 | K | 0.03 | NIST |
| Tboilr | 366.00 | K | 0.03 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.42; 462.13] | 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 | 3.25700e+01 | |||
| Coefficient B | 8.14500e-01 | |||
| Coefficient C | -4.73900e-04 | |||
| Coefficient D | 8.89600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 221.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 265.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 304.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 338.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 368.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 394.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 416.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 434.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 449.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 462.13 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Methanone, (pentafluorophenyl)phenyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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