Chemical Properties of 2,2-Bis(tert-butylperoxy) butane

InChI

InChI=1S/C12H26O4/c1-9-12(8,15-13-10(2,3)4)16-14-11(5,6)7/h9H2,1-8H3

InChI Key

HQOVXPHOJANJBR-UHFFFAOYSA-N

Formula

C12H26O4

SMILES

CCC(C)(OOC(C)(C)C)OOC(C)(C)C

Molecular Weight¹

234.34

• 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°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[317.28; 716.82]	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			2.05610e+01
Coefficient B			1.26856e+00
Coefficient C			-7.00400e-04
Coefficient D			1.28100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	317.28	J/mol×K	273.00	Calculated Property
Cp,gas	387.36	J/mol×K	353.78	Calculated Property
Cp,gas	450.07	J/mol×K	434.56	Calculated Property
Cp,gas	505.82	J/mol×K	515.33	Calculated Property
Cp,gas	555.01	J/mol×K	596.11	Calculated Property
Cp,gas	598.06	J/mol×K	676.89	Calculated Property
Cp,gas	635.35	J/mol×K	757.67	Calculated Property
Cp,gas	667.31	J/mol×K	838.44	Calculated Property
Cp,gas	694.33	J/mol×K	919.22	Calculated Property
Cp,gas	716.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023173; 0.0000997]	Pa×s	[321.18; 519.02]	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			-1.43192e+01
Coefficient B			2.65034e+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.			321.18
Temperature range, max.			519.02
η	0.0023173	Pa×s	321.18	Calculated Property
η	0.0013659	Pa×s	343.16	Calculated Property
η	0.0008580	Pa×s	365.15	Calculated Property
η	0.0005682	Pa×s	387.13	Calculated Property
η	0.0003933	Pa×s	409.11	Calculated Property
η	0.0002827	Pa×s	431.09	Calculated Property
η	0.0002098	Pa×s	453.08	Calculated Property
η	0.0001600	Pa×s	475.06	Calculated Property
η	0.0001250	Pa×s	497.04	Calculated Property
η	0.0000997	Pa×s	519.02	Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Bis(tert-butylperoxy) butane.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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