Chemical Properties of 2,5-Dimethylhexane-2,5-dihydroperoxide

InChI

InChI=1S/C8H18O4/c1-7(2,11-9)5-6-8(3,4)12-10/h9-10H,5-6H2,1-4H3

InChI Key

JGBAASVQPMTVHO-UHFFFAOYSA-N

Formula

C8H18O4

SMILES

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

Molecular Weight¹

178.23

Other Names

• Hydroperoxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis-

• 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°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[228.08; 509.33]	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			8.25200e+00
Coefficient B			9.57080e-01
Coefficient C			-5.93800e-04
Coefficient D			1.37800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.08	J/mol×K	273.00	Calculated Property
Cp,gas	278.63	J/mol×K	353.78	Calculated Property
Cp,gas	323.33	J/mol×K	434.56	Calculated Property
Cp,gas	362.63	J/mol×K	515.33	Calculated Property
Cp,gas	396.96	J/mol×K	596.11	Calculated Property
Cp,gas	426.76	J/mol×K	676.89	Calculated Property
Cp,gas	452.46	J/mol×K	757.67	Calculated Property
Cp,gas	474.50	J/mol×K	838.44	Calculated Property
Cp,gas	493.31	J/mol×K	919.22	Calculated Property
Cp,gas	509.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0094291; 0.0000478]	Pa×s	[350.86; 543.63]	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			-1.95649e+01
Coefficient B			5.22816e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			350.86
Temperature range, max.			543.63
η	0.0094291	Pa×s	350.86	Calculated Property
η	0.0040008	Pa×s	372.28	Calculated Property
η	0.0018635	Pa×s	393.70	Calculated Property
η	0.0009392	Pa×s	415.12	Calculated Property
η	0.0005063	Pa×s	436.53	Calculated Property
η	0.0002892	Pa×s	457.95	Calculated Property
η	0.0001736	Pa×s	479.37	Calculated Property
η	0.0001089	Pa×s	500.79	Calculated Property
η	0.0000710	Pa×s	522.21	Calculated Property
η	0.0000478	Pa×s	543.63	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dimethylhexane-2,5-dihydroperoxide.

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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