Chemical Properties of Cholesta-4,6-dien-3-ol, (3.beta.)-

InChI

InChI=1S/C27H44O/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/h9-10,17-19,21-25,28H,6-8,11-16H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChI Key

KIULDMFHZZHYKZ-HFRBDLMJSA-N

Formula

C27H44O

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Molecular Weight¹

384.65

Other Names

• 4,6-Cholestadien-3«beta»-ol
• cholesta-4,6-diene-3«beta»-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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).
• 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1285.94; 1477.54]	J/mol×K	[946.54; 1168.01]
Cp,gas	1285.94	J/mol×K	946.54	Joback Calculated Property
Cp,gas	1315.48	J/mol×K	983.45	Joback Calculated Property
Cp,gas	1345.55	J/mol×K	1020.36	Joback Calculated Property
Cp,gas	1376.47	J/mol×K	1057.27	Joback Calculated Property
Cp,gas	1408.56	J/mol×K	1094.18	Joback Calculated Property
Cp,gas	1442.14	J/mol×K	1131.09	Joback Calculated Property
Cp,gas	1477.54	J/mol×K	1168.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cholesta-4,6-dien-3-ol, (3.beta.)-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.