Chemical Properties of 4-Ethoxybenzoyl chloride (CAS 16331-46-7)

InChI

InChI=1S/C9H9ClO2/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3

InChI Key

XLWQUESMILVIPR-UHFFFAOYSA-N

Formula

C9H9ClO2

SMILES

CCOc1ccc(C(=O)Cl)cc1

Molecular Weight¹

184.62

CAS

16331-46-7

Other Names

• p-Ethoxybenzoyl chloride
• Benzoyl chloride, 4-ethoxy-

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• 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

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[171.43; 377.87]	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			2.08510e+01
Coefficient B			6.36020e-01
Coefficient C			-3.20660e-04
Coefficient D			4.16600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.43	J/mol×K	273.00	Calculated Property
Cp,gas	207.57	J/mol×K	353.78	Calculated Property
Cp,gas	240.10	J/mol×K	434.56	Calculated Property
Cp,gas	269.16	J/mol×K	515.33	Calculated Property
Cp,gas	294.87	J/mol×K	596.11	Calculated Property
Cp,gas	317.37	J/mol×K	676.89	Calculated Property
Cp,gas	336.78	J/mol×K	757.67	Calculated Property
Cp,gas	353.25	J/mol×K	838.44	Calculated Property
Cp,gas	366.90	J/mol×K	919.22	Calculated Property
Cp,gas	377.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016956; 0.0002407]	Pa×s	[332.21; 541.15]	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			-1.14357e+01
Coefficient B			1.67964e+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.			332.21
Temperature range, max.			541.15
η	0.0016956	Pa×s	332.21	Calculated Property
η	0.0012187	Pa×s	355.43	Calculated Property
η	0.0009121	Pa×s	378.64	Calculated Property
η	0.0007059	Pa×s	401.86	Calculated Property
η	0.0005618	Pa×s	425.07	Calculated Property
η	0.0004579	Pa×s	448.29	Calculated Property
η	0.0003807	Pa×s	471.51	Calculated Property
η	0.0003221	Pa×s	494.72	Calculated Property
η	0.0002767	Pa×s	517.94	Calculated Property
η	0.0002407	Pa×s	541.15	Calculated Property

Similar Compounds

Find more compounds similar to 4-Ethoxybenzoyl chloride.

Sources

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

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