Chemical Properties of 4,4'-Dichlorobenzophenone (CAS 90-98-2)

InChI

InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H

InChI Key

OKISUZLXOYGIFP-UHFFFAOYSA-N

Formula

C13H8Cl2O

SMILES

O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

Molecular Weight¹

251.11

CAS

90-98-2

Other Names

• DBP
• DBP (degradation product)
• DCB
• DCBP
• Di(p-Chlorophenyl)ketone
• Dichloro-4,4'-dibenzophenone
• NSC 8787
• USAF DO-4
• benzophenone, 4,4'-dichloro-
• bis(4-chlorophenyl) ketone
• bis(4-chlorophenyl)methanone
• bis(p-chlorophenyl) ketone
• di(p-chlorophenyl) ketone
• methanone, bis(4-chlorophenyl)-
• p,p'-dichlorobenzophenone
• p,p-Dichlorobenzophenone
• p-Dichlorobenzophenone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-33.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.72	kJ/mol	Joback Calculated Property
ΔsubH°	117.50 ± 0.30	kJ/mol	NIST
ΔvapH°	102.25	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-5.26		Relay (1.0) Calculated Property
logPoct/wat	4.224		Crippen Calculated Property
McVol	172.560	ml/mol	McGowan Calculated Property
Pc	2937.70	kPa	Joback Calculated Property
Inp	[1947.00; 2018.00]
Inp	1947.00		NIST
Inp	1979.00		NIST
Inp	2014.00		NIST
Inp	2018.00		NIST
Tboil	626.20	K	NIST
Tc	873.80	K	Relay (1.0) Calculated Property
Tfus	420.00 ± 0.20	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[21.65; 30.12]	kJ/mol	[338.40; 420.00]
ΔfusH	21.65	kJ/mol	338.40	NIST
ΔfusH	21.65	kJ/mol	338.40	NIST
ΔfusH	30.12	kJ/mol	420.00	NIST
ΔfusH	30.12	kJ/mol	420.00	NIST
ΔsubH	114.50 ± 0.30	kJ/mol	358.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[199.58; 452.44]	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			-1.50000e+01
Coefficient B			9.47600e-01
Coefficient C			-6.33820e-04
Coefficient D			1.53660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	199.58	J/mol×K	273.00	Calculated Property
Cp,gas	247.72	J/mol×K	353.78	Calculated Property
Cp,gas	289.70	J/mol×K	434.56	Calculated Property
Cp,gas	326.04	J/mol×K	515.33	Calculated Property
Cp,gas	357.20	J/mol×K	596.11	Calculated Property
Cp,gas	383.67	J/mol×K	676.89	Calculated Property
Cp,gas	405.95	J/mol×K	757.67	Calculated Property
Cp,gas	424.51	J/mol×K	838.44	Calculated Property
Cp,gas	439.85	J/mol×K	919.22	Calculated Property
Cp,gas	452.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012921; 0.0002079]	Pa×s	[420.00; 664.06]	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			-1.16221e+01
Coefficient B			2.08767e+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.			420.00
Temperature range, max.			664.06
η	0.0012921	Pa×s	420.00	Calculated Property
η	0.0009558	Pa×s	447.12	Calculated Property
η	0.0007319	Pa×s	474.24	Calculated Property
η	0.0005768	Pa×s	501.35	Calculated Property
η	0.0004658	Pa×s	528.47	Calculated Property
η	0.0003841	Pa×s	555.59	Calculated Property
η	0.0003225	Pa×s	582.71	Calculated Property
η	0.0002750	Pa×s	609.82	Calculated Property
η	0.0002377	Pa×s	636.94	Calculated Property
η	0.0002079	Pa×s	664.06	Calculated Property

Similar Compounds

Find more compounds similar to 4,4'-Dichlorobenzophenone.

Sources

• 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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