Chemical Properties of cyclohexyl hydroperoxide (CAS 766-07-4)

InChI

InChI=1S/C6H12O2/c7-8-6-4-2-1-3-5-6/h6-7H,1-5H2

InChI Key

FGGJBCRKSVGDPO-UHFFFAOYSA-N

Formula

C6H12O2

SMILES

OOC1CCCCC1

Molecular Weight¹

116.16

CAS

766-07-4

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 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	[122.55; 351.12]	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			-3.73800e+01
Coefficient B			6.66700e-01
Coefficient C			-3.03000e-04
Coefficient D			2.48000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	122.55	J/mol×K	273.00	Calculated Property
Cp,gas	161.66	J/mol×K	353.78	Calculated Property
Cp,gas	197.16	J/mol×K	434.56	Calculated Property
Cp,gas	229.12	J/mol×K	515.33	Calculated Property
Cp,gas	257.63	J/mol×K	596.11	Calculated Property
Cp,gas	282.77	J/mol×K	676.89	Calculated Property
Cp,gas	304.60	J/mol×K	757.67	Calculated Property
Cp,gas	323.22	J/mol×K	838.44	Calculated Property
Cp,gas	338.70	J/mol×K	919.22	Calculated Property
Cp,gas	351.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0422906; 0.0001984]	Pa×s	[247.81; 465.51]	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			-1.46290e+01
Coefficient B			2.84135e+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.			247.81
Temperature range, max.			465.51
η	0.0422906	Pa×s	247.81	Calculated Property
η	0.0152550	Pa×s	272.00	Calculated Property
η	0.0065000	Pa×s	296.19	Calculated Property
η	0.0031503	Pa×s	320.38	Calculated Property
η	0.0016903	Pa×s	344.57	Calculated Property
η	0.0009841	Pa×s	368.75	Calculated Property
η	0.0006124	Pa×s	392.94	Calculated Property
η	0.0004027	Pa×s	417.13	Calculated Property
η	0.0002772	Pa×s	441.32	Calculated Property
η	0.0001984	Pa×s	465.51	Calculated Property

Similar Compounds

Find more compounds similar to cyclohexyl hydroperoxide.

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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