Chemical Properties of Cholestanol (CAS 80-97-7)

InChI

InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19?,20-,21-,22?,23?,24?,25?,26?,27?/m1/s1

InChI Key

QYIXCDOBOSTCEI-SWSAENCJSA-N

Formula

C27H48O

SMILES

CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

Molecular Weight¹

388.67

CAS

80-97-7

Other Names

• 3«beta»-Cholestanol
• 3«beta»-Hydroxy-5«alpha»-cholestane
• 3«beta»-Hydroxycholestane
• 5«alpha»-Cholestan-3«beta»-ol
• 5«alpha»-Cholestanol
• 5«alpha»-Dihydrocholesterol
• Cholestan-3-ol, (3«beta»,5«alpha»)-
• Cholestan-3«beta»-ol
• Dihydrocholesterin
• Dihydrocholesterol
• NSC 18188
• Zymostanol
• «beta»-Cholestanol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[473.10; 1401.17]	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			-3.22527e+02
Coefficient B			3.64810e+00
Coefficient C			-2.97420e-03
Coefficient D			1.04980e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	473.10	J/mol×K	273.00	Calculated Property
Cp,gas	642.33	J/mol×K	353.78	Calculated Property
Cp,gas	787.28	J/mol×K	434.56	Calculated Property
Cp,gas	911.28	J/mol×K	515.33	Calculated Property
Cp,gas	1017.64	J/mol×K	596.11	Calculated Property
Cp,gas	1109.70	J/mol×K	676.89	Calculated Property
Cp,gas	1190.76	J/mol×K	757.67	Calculated Property
Cp,gas	1264.14	J/mol×K	838.44	Calculated Property
Cp,gas	1333.17	J/mol×K	919.22	Calculated Property
Cp,gas	1401.17	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cholestanol.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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