Chemical Properties of Benzoyl chloride, 2,4-dichloro- (CAS 89-75-8)

InChI

InChI=1S/C7H3Cl3O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H

InChI Key

CEOCVKWBUWKBKA-UHFFFAOYSA-N

Formula

C7H3Cl3O

SMILES

O=C(Cl)c1ccc(Cl)cc1Cl

Molecular Weight¹

209.46

CAS

89-75-8

Other Names

• 2,4-Dichlorobenzoyl chloride

• 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_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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[142.96; 269.69]	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			3.72500e+01
Coefficient B			4.63300e-01
Coefficient C			-2.96620e-04
Coefficient D			6.57600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	142.96	J/mol×K	273.00	Calculated Property
Cp,gas	166.94	J/mol×K	353.78	Calculated Property
Cp,gas	187.96	J/mol×K	434.56	Calculated Property
Cp,gas	206.23	J/mol×K	515.33	Calculated Property
Cp,gas	221.95	J/mol×K	596.11	Calculated Property
Cp,gas	235.34	J/mol×K	676.89	Calculated Property
Cp,gas	246.60	J/mol×K	757.67	Calculated Property
Cp,gas	255.94	J/mol×K	838.44	Calculated Property
Cp,gas	263.57	J/mol×K	919.22	Calculated Property
Cp,gas	269.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016548; 0.0003102]	Pa×s	[359.80; 564.63]	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			-1.10195e+01
Coefficient B			1.66061e+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.			359.80
Temperature range, max.			564.63
η	0.0016548	Pa×s	359.80	Calculated Property
η	0.0012574	Pa×s	382.56	Calculated Property
η	0.0009855	Pa×s	405.32	Calculated Property
η	0.0007926	Pa×s	428.08	Calculated Property
η	0.0006516	Pa×s	450.83	Calculated Property
η	0.0005459	Pa×s	473.59	Calculated Property
η	0.0004648	Pa×s	496.35	Calculated Property
η	0.0004014	Pa×s	519.11	Calculated Property
η	0.0003509	Pa×s	541.87	Calculated Property
η	0.0003102	Pa×s	564.63	Calculated Property

Similar Compounds

Find more compounds similar to Benzoyl chloride, 2,4-dichloro-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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