Chemical Properties of Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl (CAS 3457-61-2)

InChI

InChI=1S/C13H20O2/c1-12(2,3)14-15-13(4,5)11-9-7-6-8-10-11/h6-10H,1-5H3

InChI Key

BIISIZOQPWZPPS-UHFFFAOYSA-N

Formula

C13H20O2

SMILES

CC(C)(C)OOC(C)(C)c1ccccc1

Molecular Weight¹

208.30

CAS

3457-61-2

Other Names

• tert-Butyl «alpha»,«alpha»-dimethylbenzyl peroxide
• Peroxide, tert-butyl «alpha»,«alpha»-dimethylbenzyl
• tert-Butyl cumene peroxide
• tert-Butyl cumyl peroxide
• Cumyl tert-butyl peroxide
• Kayabutyl C
• Trigonox T
• 1,1-Dimethylethyl 1-methyl-1-phenylethyl peroxide
• Luperco 801-XL
• t-Butyl cumyl peroxide
• Luperox 801

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[453.41; 549.17]	J/mol×K	[561.90; 779.45]
Cp,gas	453.41	J/mol×K	561.90	Joback Calculated Property
Cp,gas	472.27	J/mol×K	598.16	Joback Calculated Property
Cp,gas	489.90	J/mol×K	634.42	Joback Calculated Property
Cp,gas	506.34	J/mol×K	670.68	Joback Calculated Property
Cp,gas	521.67	J/mol×K	706.93	Joback Calculated Property
Cp,gas	535.92	J/mol×K	743.19	Joback Calculated Property
Cp,gas	549.17	J/mol×K	779.45	Joback Calculated Property
η	[0.0001081; 0.0028405]	Pa×s	[311.99; 561.90]
η	0.0028405	Pa×s	311.99	Joback Calculated Property
η	0.0011951	Pa×s	353.64	Joback Calculated Property
η	0.0006035	Pa×s	395.29	Joback Calculated Property
η	0.0003471	Pa×s	436.94	Joback Calculated Property
η	0.0002199	Pa×s	478.60	Joback Calculated Property
η	0.0001498	Pa×s	520.25	Joback Calculated Property
η	0.0001081	Pa×s	561.90	Joback Calculated Property
ΔvapH	69.10 ± 1.40	kJ/mol	294.00	NIST

Similar Compounds

Find more compounds similar to Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl.

Sources

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

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