Chemical Properties of Cholesta-8,24-dien-3-ol, acetate, (3.beta.,5.alpha.)-

InChI

InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8,20,22-23,25-26H,7,9-18H2,1-6H3/t20?,22-,23-,25?,26?,28?,29?/m0/s1

InChI Key

ICNJVDYAAWEPCH-GPDNFOSISA-N

Formula

C29H46O2

SMILES

CC(=O)O[C@H]1CCC2(C)C3=C(CC[C@H]2C1)C1CCC(C(C)CCC=C(C)C)C1(C)CC3

Molecular Weight¹

426.68

Other Names

• 5«alpha»-Cholesta-8,24-dien-3«beta»-ol, acetate
• Zymosterol acetate
• Cholesta-8,24-dien-3-yl acetate, (3«beta»,5«alpha»)-

• 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).
• I_np : Non-polar retention indices.
• 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	[499.92; 1411.70]	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			-2.91918e+02
Coefficient B			3.64132e+00
Coefficient C			-3.00490e-03
Coefficient D			1.06720e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	499.92	J/mol×K	273.00	Calculated Property
Cp,gas	667.46	J/mol×K	353.78	Calculated Property
Cp,gas	810.57	J/mol×K	434.56	Calculated Property
Cp,gas	932.62	J/mol×K	515.33	Calculated Property
Cp,gas	1036.99	J/mol×K	596.11	Calculated Property
Cp,gas	1127.05	J/mol×K	676.89	Calculated Property
Cp,gas	1206.17	J/mol×K	757.67	Calculated Property
Cp,gas	1277.74	J/mol×K	838.44	Calculated Property
Cp,gas	1345.13	J/mol×K	919.22	Calculated Property
Cp,gas	1411.70	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cholesta-8,24-dien-3-ol, acetate, (3.beta.,5.alpha.)-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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