Chemical Properties of 2,4,6-Trimethylbenzoyl chloride (CAS 938-18-1)

InChI

InChI=1S/C10H11ClO/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3

InChI Key

UKRQMDIFLKHCRO-UHFFFAOYSA-N

Formula

C10H11ClO

SMILES

Cc1cc(C)c(C(=O)Cl)c(C)c1

Molecular Weight¹

182.65

CAS

938-18-1

Other Names

• Benzoyl chloride, 2,4,6-trimethyl-

• 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	[182.34; 404.88]	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			2.30400e+01
Coefficient B			6.75260e-01
Coefficient C			-3.51980e-04
Coefficient D			5.85600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	182.34	J/mol×K	273.00	Calculated Property
Cp,gas	220.47	J/mol×K	353.78	Calculated Property
Cp,gas	254.82	J/mol×K	434.56	Calculated Property
Cp,gas	285.56	J/mol×K	515.33	Calculated Property
Cp,gas	312.90	J/mol×K	596.11	Calculated Property
Cp,gas	337.01	J/mol×K	676.89	Calculated Property
Cp,gas	358.08	J/mol×K	757.67	Calculated Property
Cp,gas	376.29	J/mol×K	838.44	Calculated Property
Cp,gas	391.83	J/mol×K	919.22	Calculated Property
Cp,gas	404.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013634; 0.0002613]	Pa×s	[346.29; 549.07]	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			-1.10714e+01
Coefficient B			1.54919e+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.			346.29
Temperature range, max.			549.07
η	0.0013634	Pa×s	346.29	Calculated Property
η	0.0010374	Pa×s	368.82	Calculated Property
η	0.0008146	Pa×s	391.35	Calculated Property
η	0.0006566	Pa×s	413.88	Calculated Property
η	0.0005413	Pa×s	436.41	Calculated Property
η	0.0004547	Pa×s	458.94	Calculated Property
η	0.0003883	Pa×s	481.48	Calculated Property
η	0.0003362	Pa×s	504.01	Calculated Property
η	0.0002948	Pa×s	526.54	Calculated Property
η	0.0002613	Pa×s	549.07	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Trimethylbenzoyl chloride.

Sources

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

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