Chemical Properties of Benzoyl chloride, 4-methoxy- (CAS 100-07-2)

InChI

InChI=1S/C8H7ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3

InChI Key

MXMOTZIXVICDSD-UHFFFAOYSA-N

Formula

C8H7ClO2

SMILES

COc1ccc(C(=O)Cl)cc1

Molecular Weight¹

170.59

CAS

100-07-2

Other Names

• p-Anisoyl chloride
• p-Methoxybenzoic acid chloride
• p-Methoxybenzoyl chloride
• Anisoyl chloride
• Benzoyl chloride, p-methoxy-
• 4-Methoxybenzoic acid chloride
• 4-Methoxybenzoyl chloride
• 4-Anisoyl chloride
• UN 1729
• NSC 86125
• Benzoyl chloride, methoxy-
• Methoxybenzoyl 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_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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[150.22; 326.28]	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			2.17600e+01
Coefficient B			5.41020e-01
Coefficient C			-2.66260e-04
Coefficient D			2.97600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	150.22	J/mol×K	273.00	Calculated Property
Cp,gas	181.15	J/mol×K	353.78	Calculated Property
Cp,gas	209.03	J/mol×K	434.56	Calculated Property
Cp,gas	233.93	J/mol×K	515.33	Calculated Property
Cp,gas	255.96	J/mol×K	596.11	Calculated Property
Cp,gas	275.21	J/mol×K	676.89	Calculated Property
Cp,gas	291.77	J/mol×K	757.67	Calculated Property
Cp,gas	305.74	J/mol×K	838.44	Calculated Property
Cp,gas	317.21	J/mol×K	919.22	Calculated Property
Cp,gas	326.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026774; 0.0002454]	Pa×s	[294.00; 527.98]	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			-1.13157e+01
Coefficient B			1.58548e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			294.00
Temperature range, max.			527.98
η	0.0026774	Pa×s	294.00	Calculated Property
η	0.0017275	Pa×s	320.00	Calculated Property
η	0.0011905	Pa×s	346.00	Calculated Property
η	0.0008643	Pa×s	371.99	Calculated Property
η	0.0006543	Pa×s	397.99	Calculated Property
η	0.0005125	Pa×s	423.99	Calculated Property
η	0.0004129	Pa×s	449.99	Calculated Property
η	0.0003406	Pa×s	475.99	Calculated Property
η	0.0002866	Pa×s	501.99	Calculated Property
η	0.0002454	Pa×s	527.98	Calculated Property

Similar Compounds

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

Sources

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

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