Chemical Properties of 4-Ethylbenzoyl chloride (CAS 16331-45-6)

InChI

InChI=1S/C9H9ClO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3

InChI Key

AVTLLLZVYYPGFX-UHFFFAOYSA-N

Formula

C9H9ClO

SMILES

CCc1ccc(C(=O)Cl)cc1

Molecular Weight¹

168.62

CAS

16331-45-6

Other Names

• Benzoyl chloride, 4-ethyl-

• 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_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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[156.03; 359.37]	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			-4.64900e+00
Coefficient B			6.99220e-01
Coefficient C			-4.31660e-04
Coefficient D			9.64600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.03	J/mol×K	273.00	Calculated Property
Cp,gas	192.96	J/mol×K	353.78	Calculated Property
Cp,gas	225.60	J/mol×K	434.56	Calculated Property
Cp,gas	254.25	J/mol×K	515.33	Calculated Property
Cp,gas	279.21	J/mol×K	596.11	Calculated Property
Cp,gas	300.78	J/mol×K	676.89	Calculated Property
Cp,gas	319.28	J/mol×K	757.67	Calculated Property
Cp,gas	335.01	J/mol×K	838.44	Calculated Property
Cp,gas	348.27	J/mol×K	919.22	Calculated Property
Cp,gas	359.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022080; 0.0002783]	Pa×s	[309.98; 527.37]	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			-1.11403e+01
Coefficient B			1.55755e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			309.98
Temperature range, max.			527.37
η	0.0022080	Pa×s	309.98	Calculated Property
η	0.0015355	Pa×s	334.13	Calculated Property
η	0.0011214	Pa×s	358.29	Calculated Property
η	0.0008522	Pa×s	382.44	Calculated Property
η	0.0006691	Pa×s	406.60	Calculated Property
η	0.0005397	Pa×s	430.75	Calculated Property
η	0.0004454	Pa×s	454.90	Calculated Property
η	0.0003748	Pa×s	479.06	Calculated Property
η	0.0003207	Pa×s	503.21	Calculated Property
η	0.0002783	Pa×s	527.37	Calculated Property

Similar Compounds

Find more compounds similar to 4-Ethylbenzoyl chloride.

Sources

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

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