Chemical Properties of 2,5-Dimethyl-2-hydroperoxide-5-tert-butylperoxyhexane (CAS 23661-84-9)

InChI

InChI=1S/C12H26O4/c1-10(2,3)15-16-12(6,7)9-8-11(4,5)14-13/h13H,8-9H2,1-7H3

InChI Key

LMYXBQKXPSZHAH-UHFFFAOYSA-N

Formula

C12H26O4

SMILES

CC(C)(C)OOC(C)(C)CCC(C)(C)OO

Molecular Weight¹

234.33

CAS

23661-84-9

• 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_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).
• 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, 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	[314.38; 716.99]	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			3.52000e-01
Coefficient B			1.36574e+00
Coefficient C			-8.41800e-04
Coefficient D			1.92700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	314.38	J/mol×K	273.00	Calculated Property
Cp,gas	386.69	J/mol×K	353.78	Calculated Property
Cp,gas	450.69	J/mol×K	434.56	Calculated Property
Cp,gas	506.98	J/mol×K	515.33	Calculated Property
Cp,gas	556.17	J/mol×K	596.11	Calculated Property
Cp,gas	598.87	J/mol×K	676.89	Calculated Property
Cp,gas	635.70	J/mol×K	757.67	Calculated Property
Cp,gas	667.25	J/mol×K	838.44	Calculated Property
Cp,gas	694.15	J/mol×K	919.22	Calculated Property
Cp,gas	716.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034716; 0.0000492]	Pa×s	[359.77; 562.63]	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			-1.74702e+01
Coefficient B			4.24784e+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.			359.77
Temperature range, max.			562.63
η	0.0034716	Pa×s	359.77	Calculated Property
η	0.0017307	Pa×s	382.31	Calculated Property
η	0.0009323	Pa×s	404.85	Calculated Property
η	0.0005361	Pa×s	427.39	Calculated Property
η	0.0003258	Pa×s	449.93	Calculated Property
η	0.0002077	Pa×s	472.47	Calculated Property
η	0.0001379	Pa×s	495.01	Calculated Property
η	0.0000949	Pa×s	517.55	Calculated Property
η	0.0000674	Pa×s	540.09	Calculated Property
η	0.0000492	Pa×s	562.63	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dimethyl-2-hydroperoxide-5-tert-butylperoxyhexane.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.