- InChI
- InChI=1S/C13H9ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
- InChI Key
- UGVRJVHOJNYEHR-UHFFFAOYSA-N
- Formula
- C13H9ClO
- SMILES
- O=C(c1ccccc1)c1ccc(Cl)cc1
- Molecular Weight1
- 216.66
- CAS
- 134-85-0
- Other Names
-
- Benzophenone, 4-chloro-
- p-Chlorobenzophenone
- p-CBP
- 4-Chlorobenzophenone
- p-Chlorophenyl phenyl ketone
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| EA | [0.83; 0.86] | eV |
|
| EA | 0.83 ± 0.05 | eV | NIST |
| EA | 0.86 ± 0.09 | eV | NIST |
| ΔfG° | 132.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 21.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.92 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 108.20 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 60.88 | kJ/mol | Joback Calculated Property |
| IE | [9.60; 9.68] | eV |
|
| IE | 9.60 ± 0.10 | eV | NIST |
| IE | 9.68 ± 0.01 | eV | NIST |
| log10WS | -4.11 | Crippen Calculated Property | |
| logPoct/wat | 3.571 | Crippen Calculated Property | |
| McVol | 160.320 | ml/mol | McGowan Calculated Property |
| Pc | 3110.57 | kPa | Joback Calculated Property |
| Inp | [1850.00; 1850.00] |
|
|
| Inp | 1850.00 | NIST | |
| Inp | 1850.00 | NIST | |
| Inp | 1850.00 | NIST | |
| Inp | 1850.00 | NIST | |
| Tboil | 646.48 | K | Joback Calculated Property |
| Tc | 902.74 | K | Joback Calculated Property |
| Tfus | 381.48 | K | Joback Calculated Property |
| Vc | 0.603 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [365.91; 431.03] | J/mol×K | [646.48; 902.74] |
|
| Cp,gas | 365.91 | J/mol×K | 646.48 | Joback Calculated Property |
| Cp,gas | 379.51 | J/mol×K | 689.19 | Joback Calculated Property |
| Cp,gas | 391.90 | J/mol×K | 731.90 | Joback Calculated Property |
| Cp,gas | 403.17 | J/mol×K | 774.61 | Joback Calculated Property |
| Cp,gas | 413.40 | J/mol×K | 817.32 | Joback Calculated Property |
| Cp,gas | 422.66 | J/mol×K | 860.03 | Joback Calculated Property |
| Cp,gas | 431.03 | J/mol×K | 902.74 | Joback Calculated Property |
| η | [0.0001982; 0.0016421] | Pa×s | [381.48; 646.48] |
|
| η | 0.0016421 | Pa×s | 381.48 | Joback Calculated Property |
| η | 0.0009615 | Pa×s | 425.65 | Joback Calculated Property |
| η | 0.0006226 | Pa×s | 469.81 | Joback Calculated Property |
| η | 0.0004344 | Pa×s | 513.98 | Joback Calculated Property |
| η | 0.0003209 | Pa×s | 558.15 | Joback Calculated Property |
| η | 0.0002478 | Pa×s | 602.31 | Joback Calculated Property |
| η | 0.0001982 | Pa×s | 646.48 | Joback Calculated Property |
| ΔsubH | 105.40 ± 0.30 | kJ/mol | 329.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 468.70 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to Methanone, (4-chlorophenyl)phenyl-.
Sources
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