Chemical Properties of 2,5-Dimethyl-2-oxy-5-tert-butylperoxyhexane (CAS 87047-20-9)

InChI

InChI=1S/C12H26O3/c1-10(2,3)14-15-12(6,7)9-8-11(4,5)13/h13H,8-9H2,1-7H3

InChI Key

WVYJQAHQPIRIIP-UHFFFAOYSA-N

Formula

C12H26O3

SMILES

CC(C)(O)CCC(C)(C)OOC(C)(C)C

Molecular Weight¹

218.33

CAS

87047-20-9

• 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).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[543.38; 627.87]	J/mol×K	[601.29; 781.71]
Cp,gas	543.38	J/mol×K	601.29	Joback Calculated Property
Cp,gas	559.52	J/mol×K	631.36	Joback Calculated Property
Cp,gas	574.77	J/mol×K	661.43	Joback Calculated Property
Cp,gas	589.20	J/mol×K	691.50	Joback Calculated Property
Cp,gas	602.83	J/mol×K	721.57	Joback Calculated Property
Cp,gas	615.71	J/mol×K	751.64	Joback Calculated Property
Cp,gas	627.87	J/mol×K	781.71	Joback Calculated Property
η	[0.0000339; 0.0072123]	Pa×s	[337.54; 601.29]
η	0.0072123	Pa×s	337.54	Joback Calculated Property
η	0.0017637	Pa×s	381.50	Joback Calculated Property
η	0.0005770	Pa×s	425.46	Joback Calculated Property
η	0.0002327	Pa×s	469.41	Joback Calculated Property
η	0.0001096	Pa×s	513.37	Joback Calculated Property
η	0.0000582	Pa×s	557.33	Joback Calculated Property
η	0.0000339	Pa×s	601.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dimethyl-2-oxy-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.
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