Chemical Properties of Benzoyl chloride, 4-(1,1-dimethylethyl)- (CAS 1710-98-1)

InChI

InChI=1S/C11H13ClO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3

InChI Key

WNLMYNASWOULQY-UHFFFAOYSA-N

Formula

C11H13ClO

SMILES

CC(C)(C)c1ccc(C(=O)Cl)cc1

Molecular Weight¹

196.67

CAS

1710-98-1

Other Names

• 4-tert-Butylbenzoyl chloride
• p-tert-Butylbenzoyl chloride

• 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).
• 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 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	[197.00; 464.02]	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			-3.09400e+01
Coefficient B			1.01506e+00
Coefficient C			-7.12260e-04
Coefficient D			1.92160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.00	J/mol×K	273.00	Calculated Property
Cp,gas	247.53	J/mol×K	353.78	Calculated Property
Cp,gas	291.43	J/mol×K	434.56	Calculated Property
Cp,gas	329.30	J/mol×K	515.33	Calculated Property
Cp,gas	361.75	J/mol×K	596.11	Calculated Property
Cp,gas	389.40	J/mol×K	676.89	Calculated Property
Cp,gas	412.84	J/mol×K	757.67	Calculated Property
Cp,gas	432.68	J/mol×K	838.44	Calculated Property
Cp,gas	449.54	J/mol×K	919.22	Calculated Property
Cp,gas	464.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025092; 0.0002295]	Pa×s	[334.94; 561.32]	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			-1.19184e+01
Coefficient B			1.98641e+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.			334.94
Temperature range, max.			561.32
η	0.0025092	Pa×s	334.94	Calculated Property
η	0.0016581	Pa×s	360.09	Calculated Property
η	0.0011567	Pa×s	385.25	Calculated Property
η	0.0008433	Pa×s	410.40	Calculated Property
η	0.0006376	Pa×s	435.55	Calculated Property
η	0.0004971	Pa×s	460.70	Calculated Property
η	0.0003976	Pa×s	485.86	Calculated Property
η	0.0003252	Pa×s	511.01	Calculated Property
η	0.0002710	Pa×s	536.16	Calculated Property
η	0.0002295	Pa×s	561.32	Calculated Property

Similar Compounds

Find more compounds similar to Benzoyl chloride, 4-(1,1-dimethylethyl)-.

Sources

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

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