Chemical Properties of trans-(±)-5-hydroxy-«alpha»,«alpha»,4-trimethylcyclohex-3-ene-1-methanol (CAS 32226-54-3)

InChI

InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3

InChI Key

OMDMTHRBGUBUCO-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

CC1=CCC(C(C)(C)O)CC1O

Molecular Weight¹

170.25

CAS

32226-54-3

Other Names

• 3-Cyclohexene-1-methanol, 5-hydroxy-«alpha»,«alpha»,4-trimethyl-, trans-(.+-.)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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, 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	[201.38; 531.44]	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			-5.76800e+01
Coefficient B			1.12776e+00
Coefficient C			-6.98640e-04
Coefficient D			1.60000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.38	J/mol×K	273.00	Calculated Property
Cp,gas	260.94	J/mol×K	353.78	Calculated Property
Cp,gas	313.59	J/mol×K	434.56	Calculated Property
Cp,gas	359.85	J/mol×K	515.33	Calculated Property
Cp,gas	400.22	J/mol×K	596.11	Calculated Property
Cp,gas	435.21	J/mol×K	676.89	Calculated Property
Cp,gas	465.32	J/mol×K	757.67	Calculated Property
Cp,gas	491.05	J/mol×K	838.44	Calculated Property
Cp,gas	512.93	J/mol×K	919.22	Calculated Property
Cp,gas	531.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0132934; 0.0000575]	Pa×s	[342.94; 572.07]	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			-1.79127e+01
Coefficient B			4.66132e+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.			342.94
Temperature range, max.			572.07
η	0.0132934	Pa×s	342.94	Calculated Property
η	0.0051963	Pa×s	368.40	Calculated Property
η	0.0022934	Pa×s	393.86	Calculated Property
η	0.0011179	Pa×s	419.32	Calculated Property
η	0.0005917	Pa×s	444.78	Calculated Property
η	0.0003355	Pa×s	470.24	Calculated Property
η	0.0002016	Pa×s	495.69	Calculated Property
η	0.0001274	Pa×s	521.15	Calculated Property
η	0.0000840	Pa×s	546.61	Calculated Property
η	0.0000575	Pa×s	572.07	Calculated Property

Similar Compounds

Find more compounds similar to trans-(±)-5-hydroxy-«alpha»,«alpha»,4-trimethylcyclohex-3-ene-1-methanol.

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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