- InChI
- InChI=1S/C13H9ClO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H
- InChI Key
- CPLWKNRPZVNELG-UHFFFAOYSA-N
- Formula
- C13H9ClO
- SMILES
- O=C(c1ccccc1)c1cccc(Cl)c1
- Molecular Weight1
- 216.66
- CAS
- 1016-78-0
- Other Names
-
- 3-Chlorobenzophenone
- Benzophenone, 3-chloro-
- m-Chlorobenzophenone
- ω : Acentric Factor.
- 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).
- 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 | 0.4997 | Relay (1.0) Calculated Property | |
| EA | 0.87 ± 0.09 | eV | NIST |
| ΔfG° | 132.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 6.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.92 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 110.40 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 91.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.60; 9.60] | eV |
|
| IE | 9.60 ± 0.10 | eV | NIST |
| IE | 9.60 ± 0.10 | eV | NIST |
| log10WS | -4.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.571 | Crippen Calculated Property | |
| McVol | 160.320 | ml/mol | McGowan Calculated Property |
| Pc | 3110.57 | kPa | Joback Calculated Property |
| Tboil | 600.30 | K | Relay (1.0) Calculated Property |
| Tc | 861.74 | K | Relay (1.0) Calculated Property |
| Tfus | 355.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.582 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 108.80 ± 0.40 | kJ/mol | 330.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.63; 447.21] | 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 | -4.21900e+01 | |||
| Coefficient B | 1.00030e+00 | |||
| Coefficient C | -6.80460e-04 | |||
| Coefficient D | 1.69560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 183.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 234.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 277.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 315.79 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 348.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 375.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 398.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 418.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 434.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 447.21 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023882; 0.0002124] | Pa×s | [355.65; 632.12] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.15696e+01 | |||
| Coefficient B | 1.96761e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 355.65 | |||
| Temperature range, max. | 632.12 | |||
| η | 0.0023882 | Pa×s | 355.65 | Calculated Property |
| η | 0.0015383 | Pa×s | 386.37 | Calculated Property |
| η | 0.0010572 | Pa×s | 417.09 | Calculated Property |
| η | 0.0007649 | Pa×s | 447.81 | Calculated Property |
| η | 0.0005769 | Pa×s | 478.52 | Calculated Property |
| η | 0.0004502 | Pa×s | 509.24 | Calculated Property |
| η | 0.0003614 | Pa×s | 539.96 | Calculated Property |
| η | 0.0002970 | Pa×s | 570.68 | Calculated Property |
| η | 0.0002490 | Pa×s | 601.40 | Calculated Property |
| η | 0.0002124 | Pa×s | 632.12 | Calculated Property |
Similar Compounds
Find more compounds similar to Methanone, (3-chlorophenyl)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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