- InChI
- InChI=1S/C13H8F2O/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H
- InChI Key
- HSCUAAMDKDZZKG-UHFFFAOYSA-N
- Formula
- C13H8F2O
- SMILES
- O=C(c1ccccc1)c1cc(F)ccc1F
- Molecular Weight1
- 218.20
- CAS
- 85068-36-6
- Other Names
-
- Methanone, (2,5-difluorophenyl)phenyl-
- 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 | 0.5093 | Relay (1.0) Calculated Property | |
| ΔfG° | -254.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -321.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.196 | Crippen Calculated Property | |
| McVol | 151.620 | ml/mol | McGowan Calculated Property |
| Pc | 2887.40 | kPa | Joback Calculated Property |
| Tboil | 567.19 | K | Relay (1.0) Calculated Property |
| Tc | 819.03 | K | Relay (1.0) Calculated Property |
| Tfus | 323.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.563 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.92; 421.79] | J/mol×K | [612.57; 842.48] | 
|
| Cp,gas | 356.92 | J/mol×K | 612.57 | Joback Calculated Property |
| Cp,gas | 370.06 | J/mol×K | 650.89 | Joback Calculated Property |
| Cp,gas | 382.19 | J/mol×K | 689.21 | Joback Calculated Property |
| Cp,gas | 393.39 | J/mol×K | 727.52 | Joback Calculated Property |
| Cp,gas | 403.68 | J/mol×K | 765.84 | Joback Calculated Property |
| Cp,gas | 413.13 | J/mol×K | 804.16 | Joback Calculated Property |
| Cp,gas | 421.79 | J/mol×K | 842.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Difluorobenzophenone.
Sources
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