Chemical Properties of Benzoyl chloride, 4-methyl- (CAS 874-60-2)

InChI

InChI=1S/C8H7ClO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3

InChI Key

NQUVCRCCRXRJCK-UHFFFAOYSA-N

Formula

C8H7ClO

SMILES

Cc1ccc(C(=O)Cl)cc1

Molecular Weight¹

154.59

CAS

874-60-2

Other Names

• 4-Methylbenzoic acid chloride
• 4-Methylbenzoyl chloride
• 4-Toluoyl chloride
• p-Methylbenzoyl chloride
• p-Toluic acid chloride
• p-Toluoyl chloride
• p-Toluyl chloride

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• P_c : Critical Pressure (kPa).
• 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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[134.82; 307.78]	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			-3.74000e+00
Coefficient B			6.04220e-01
Coefficient C			-3.77260e-04
Coefficient D			8.45600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	134.82	J/mol×K	273.00	Calculated Property
Cp,gas	166.55	J/mol×K	353.78	Calculated Property
Cp,gas	194.52	J/mol×K	434.56	Calculated Property
Cp,gas	219.02	J/mol×K	515.33	Calculated Property
Cp,gas	240.30	J/mol×K	596.11	Calculated Property
Cp,gas	258.62	J/mol×K	676.89	Calculated Property
Cp,gas	274.27	J/mol×K	757.67	Calculated Property
Cp,gas	287.50	J/mol×K	838.44	Calculated Property
Cp,gas	298.58	J/mol×K	919.22	Calculated Property
Cp,gas	307.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021784; 0.0002796]	Pa×s	[298.71; 514.21]	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			-1.10282e+01
Coefficient B			1.46339e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			298.71
Temperature range, max.			514.21
η	0.0021784	Pa×s	298.71	Calculated Property
η	0.0015144	Pa×s	322.65	Calculated Property
η	0.0011071	Pa×s	346.60	Calculated Property
η	0.0008427	Pa×s	370.54	Calculated Property
η	0.0006631	Pa×s	394.49	Calculated Property
η	0.0005363	Pa×s	418.43	Calculated Property
η	0.0004438	Pa×s	442.37	Calculated Property
η	0.0003745	Pa×s	466.32	Calculated Property
η	0.0003213	Pa×s	490.26	Calculated Property
η	0.0002796	Pa×s	514.21	Calculated Property

Similar Compounds

Find more compounds similar to Benzoyl chloride, 4-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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