Chemical Properties of 1,1-Dimethyl-1-methyl-1-[(4-methylethyl)phenyl]ethyl peroxide

InChI

InChI=1S/C16H26O2/c1-12(2)13-8-10-14(11-9-13)16(6,7)18-17-15(3,4)5/h8-12H,1-7H3

InChI Key

QGABUHGYHVKOCM-UHFFFAOYSA-N

Formula

C16H26O2

SMILES

CC(C)c1ccc(C(C)(C)OOC(C)(C)C)cc1

Molecular Weight¹

250.38

Other Names

• Peroxide, 1,1-dimethylethyl 1-methyl-1-[4-(1-methylethyl)phenyl]ethyl

• 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_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).
• IE : Ionization energy (eV).
• 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

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[317.77; 763.69]	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			-3.08900e+01
Coefficient B			1.51664e+00
Coefficient C			-9.35560e-04
Coefficient D			2.13500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	317.77	J/mol×K	273.00	Calculated Property
Cp,gas	398.02	J/mol×K	353.78	Calculated Property
Cp,gas	469.02	J/mol×K	434.56	Calculated Property
Cp,gas	531.45	J/mol×K	515.33	Calculated Property
Cp,gas	585.97	J/mol×K	596.11	Calculated Property
Cp,gas	633.27	J/mol×K	676.89	Calculated Property
Cp,gas	674.01	J/mol×K	757.67	Calculated Property
Cp,gas	708.88	J/mol×K	838.44	Calculated Property
Cp,gas	738.55	J/mol×K	919.22	Calculated Property
Cp,gas	763.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020216; 0.0000872]	Pa×s	[343.32; 593.15]	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			-1.36670e+01
Coefficient B			2.56224e+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.			343.32
Temperature range, max.			593.15
η	0.0020216	Pa×s	343.32	Calculated Property
η	0.0011567	Pa×s	371.08	Calculated Property
η	0.0007154	Pa×s	398.84	Calculated Property
η	0.0004710	Pa×s	426.60	Calculated Property
η	0.0003263	Pa×s	454.35	Calculated Property
η	0.0002358	Pa×s	482.11	Calculated Property
η	0.0001766	Pa×s	509.87	Calculated Property
η	0.0001362	Pa×s	537.63	Calculated Property
η	0.0001078	Pa×s	565.39	Calculated Property
η	0.0000872	Pa×s	593.15	Calculated Property

Similar Compounds

Find more compounds similar to 1,1-Dimethyl-1-methyl-1-[(4-methylethyl)phenyl]ethyl peroxide.

Sources

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

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