Chemical Properties of 1,3,5-Cyclohexanetriol, 2,2,4,4,6,6-hexamethyl-

InChI

InChI=1S/C12H24O3/c1-10(2)7(13)11(3,4)9(15)12(5,6)8(10)14/h7-9,13-15H,1-6H3

InChI Key

SZRCMASKMMAGLQ-UHFFFAOYSA-N

Formula

C12H24O3

SMILES

CC1(C)C(O)C(C)(C)C(O)C(C)(C)C1O

Molecular Weight¹

216.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[258.97; 734.79]	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			-1.78030e+02
Coefficient B			2.11122e+00
Coefficient C			-2.12200e-03
Coefficient D			9.23600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	258.97	J/mol×K	273.00	Calculated Property
Cp,gas	344.18	J/mol×K	353.78	Calculated Property
Cp,gas	414.49	J/mol×K	434.56	Calculated Property
Cp,gas	472.82	J/mol×K	515.33	Calculated Property
Cp,gas	522.09	J/mol×K	596.11	Calculated Property
Cp,gas	565.22	J/mol×K	676.89	Calculated Property
Cp,gas	605.13	J/mol×K	757.67	Calculated Property
Cp,gas	644.75	J/mol×K	838.44	Calculated Property
Cp,gas	687.00	J/mol×K	919.22	Calculated Property
Cp,gas	734.79	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5-Cyclohexanetriol, 2,2,4,4,6,6-hexamethyl-.

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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