Chemical Properties of Methanone, (4-chlorophenyl)phenyl-

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

216.67

Other Names

• 4-chlorobenzophenone
• benzophenone, 4-chloro-
• p-CBP
• p-Chlorobenzophenone
• p-Chlorophenyl phenyl ketone

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5031		Relay (1.0) Calculated Property
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	5.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.92	kJ/mol	Joback Calculated Property
ΔsubH°	108.20 ± 0.30	kJ/mol	NIST
ΔvapH°	93.70	kJ/mol	Relay (1.0) Calculated Property
IE	[9.60; 9.68]	eV
IE	9.60 ± 0.10	eV	NIST
IE	9.68 ± 0.01	eV	NIST
log10WS	-4.26		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
Inp	[1850.00; 1850.00]
Inp	1850.00		NIST
Inp	1850.00		NIST
Inp	1850.00		NIST
Inp	1850.00		NIST
Inp	1850.00		NIST
Tboil	605.74	K	Relay (1.0) Calculated Property
Tc	858.69	K	Relay (1.0) Calculated Property
Tfus	349.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.581	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

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	[0.0026473; 0.0002124]	Pa×s	[349.15; 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.			349.15
Temperature range, max.			632.12
η	0.0026473	Pa×s	349.15	Calculated Property
η	0.0016620	Pa×s	380.59	Calculated Property
η	0.0011202	Pa×s	412.03	Calculated Property
η	0.0007985	Pa×s	443.47	Calculated Property
η	0.0005952	Pa×s	474.91	Calculated Property
η	0.0004602	Pa×s	506.35	Calculated Property
η	0.0003667	Pa×s	537.79	Calculated Property
η	0.0002996	Pa×s	569.24	Calculated Property
η	0.0002500	Pa×s	600.68	Calculated Property
η	0.0002124	Pa×s	632.12	Calculated Property

Similar Compounds

Find more compounds similar to Methanone, (4-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
• Determination of sublimation enthalpies of substituted benzophenones, fluorenes and diphenyl ethers by solution calorimetry approach
• Joback Method
• McGowan Method
• NIST Webbook

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