- InChI
- InChI=1S/C14H9ClO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9H
- InChI Key
- QDCKVAZDINMMHO-UHFFFAOYSA-N
- Formula
- C14H9ClO2
- SMILES
- O=C(C(=O)c1ccc(Cl)cc1)c1ccccc1
- Molecular Weight1
- 244.67
- CAS
- 22711-23-5
- Other Names
-
- (p-chlorophenyl)phenylethanedione
- 1-(4-Chlorophenyl)-2-phenylethan-1,2-dione
- Ethanedione, (4-chlorophenyl)(phenyl)-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.5729 | Relay (1.0) Calculated Property | |
| ΔfG° | 12.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -95.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.406 | Crippen Calculated Property | |
| McVol | 175.980 | ml/mol | McGowan Calculated Property |
| Pc | 2999.15 | kPa | Joback Calculated Property |
| Tboil | 619.38 | K | Relay (1.0) Calculated Property |
| Tc | 891.07 | K | Relay (1.0) Calculated Property |
| Tfus | 371.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.639 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [426.85; 484.57] | J/mol×K | [723.43; 979.20] | 
|
| Cp,gas | 426.85 | J/mol×K | 723.43 | Joback Calculated Property |
| Cp,gas | 439.11 | J/mol×K | 766.06 | Joback Calculated Property |
| Cp,gas | 450.21 | J/mol×K | 808.69 | Joback Calculated Property |
| Cp,gas | 460.22 | J/mol×K | 851.31 | Joback Calculated Property |
| Cp,gas | 469.23 | J/mol×K | 893.94 | Joback Calculated Property |
| Cp,gas | 477.32 | J/mol×K | 936.57 | Joback Calculated Property |
| Cp,gas | 484.57 | J/mol×K | 979.20 | Joback Calculated Property |
| η | [0.0001827; 0.0013817] | Pa×s | [442.68; 723.43] |
|
| η | 0.0013817 | Pa×s | 442.68 | Joback Calculated Property |
| η | 0.0008394 | Pa×s | 489.47 | Joback Calculated Property |
| η | 0.0005563 | Pa×s | 536.26 | Joback Calculated Property |
| η | 0.0003938 | Pa×s | 583.06 | Joback Calculated Property |
| η | 0.0002935 | Pa×s | 629.85 | Joback Calculated Property |
| η | 0.0002278 | Pa×s | 676.64 | Joback Calculated Property |
| η | 0.0001827 | Pa×s | 723.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorodibenzoyl.
Sources
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