- InChI
- InChI=1S/C13H11Cl/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
- InChI Key
- NPOGRKGIBGKRNI-UHFFFAOYSA-N
- Formula
- C13H11Cl
- SMILES
- Clc1ccc(Cc2ccccc2)cc1
- Molecular Weight1
- 202.68
- Other Names
-
- (p-Chlorophenyl)phenylmethane
- Benzene, 1-chloro-4-(phenylmethyl)-
- Diphenylmethane, 4-chloro
- Methane, (p-chlorophenyl)phenyl-
- p-Chlorobenzylbenzene
- p-Chlorodiphenylmethane
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4227 | Relay (1.0) Calculated Property | |
| ΔfG° | 261.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 156.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.931 | Crippen Calculated Property | |
| McVol | 158.750 | ml/mol | McGowan Calculated Property |
| Pc | 2902.98 | kPa | Joback Calculated Property |
| Inp | [276.90; 276.90] |
|
|
| Inp | 276.90 | NIST | |
| Inp | 276.90 | NIST | |
| Tboil | 579.95 | K | Relay (1.0) Calculated Property |
| Tc | 801.93 | K | Relay (1.0) Calculated Property |
| Tfus | 280.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.590 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.70; 458.19] | 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 | -4.95490e+01 | |||
| Coefficient B | 1.02830e+00 | |||
| Coefficient C | -6.99160e-04 | |||
| Coefficient D | 1.78600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 182.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 234.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 279.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 319.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 352.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 381.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 405.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 426.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 443.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 458.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0047403; 0.0001904] | Pa×s | [280.65; 589.74] |
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 | -1.14854e+01 | |||
| Coefficient B | 1.72142e+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. | 280.65 | |||
| Temperature range, max. | 589.74 | |||
| η | 0.0047403 | Pa×s | 280.65 | Calculated Property |
| η | 0.0024287 | Pa×s | 314.99 | Calculated Property |
| η | 0.0014192 | Pa×s | 349.34 | Calculated Property |
| η | 0.0009130 | Pa×s | 383.68 | Calculated Property |
| η | 0.0006315 | Pa×s | 418.02 | Calculated Property |
| η | 0.0004620 | Pa×s | 452.37 | Calculated Property |
| η | 0.0003532 | Pa×s | 486.71 | Calculated Property |
| η | 0.0002797 | Pa×s | 521.06 | Calculated Property |
| η | 0.0002281 | Pa×s | 555.40 | Calculated Property |
| η | 0.0001904 | Pa×s | 589.74 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-CHLORODIPHENYLMETHANE.
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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