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

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

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[352.13; 424.04]	J/mol×K	[570.81; 801.60]
Cp,gas	352.13	J/mol×K	570.81	Joback Calculated Property
Cp,gas	366.57	J/mol×K	609.27	Joback Calculated Property
Cp,gas	379.94	J/mol×K	647.74	Joback Calculated Property
Cp,gas	392.30	J/mol×K	686.20	Joback Calculated Property
Cp,gas	403.73	J/mol×K	724.67	Joback Calculated Property
Cp,gas	414.29	J/mol×K	763.13	Joback Calculated Property
Cp,gas	424.04	J/mol×K	801.60	Joback Calculated Property
η	[0.0002164; 0.0025092]	Pa×s	[334.94; 570.81]
η	0.0025092	Pa×s	334.94	Joback Calculated Property
η	0.0013458	Pa×s	374.25	Joback Calculated Property
η	0.0008126	Pa×s	413.56	Joback Calculated Property
η	0.0005356	Pa×s	452.88	Joback Calculated Property
η	0.0003773	Pa×s	492.19	Joback Calculated Property
η	0.0002799	Pa×s	531.50	Joback Calculated Property
η	0.0002164	Pa×s	570.81	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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