Chemical Properties of Lithocholic acid

InChI

InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)

InChI Key

SMEROWZSTRWXGI-UHFFFAOYSA-N

Formula

C24H40O3

SMILES

CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

Molecular Weight¹

376.58

Other Names

• Cholan-24-oic acid, 3-hydroxy-, (3«alpha»,5«beta»)-
• 5«beta»-Cholan-24-oic acid, 3«alpha»-hydroxy-
• Lithocolic acid
• 3«alpha»-Hydroxy-5«beta»-cholanic acid
• 3«alpha»-Hydroxy-5«beta»-cholanoic acid
• 3«alpha»-Hydroxycholanic acid
• 3-Hydroxycholan-24-oic acid
• 5«beta»-Cholanic acid-3«alpha»-ol
• 5-«beta»-Cholanic acid, 3-«alpha»-hydroxy-
• 17-«beta»-(1-Methyl-3-carboxypropyl)ethiocholan-3-«alpha»-ol
• NCI-C03861
• 3«alpha»-Hydroxy-5«beta»-cholan-24-oic acid
• NSC 683770

• 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	[1266.26; 1471.43]	J/mol×K	[1016.42; 1245.60]
Cp,gas	1266.26	J/mol×K	1016.42	Joback Calculated Property
Cp,gas	1296.46	J/mol×K	1054.62	Joback Calculated Property
Cp,gas	1327.80	J/mol×K	1092.81	Joback Calculated Property
Cp,gas	1360.63	J/mol×K	1131.01	Joback Calculated Property
Cp,gas	1395.29	J/mol×K	1169.20	Joback Calculated Property
Cp,gas	1432.10	J/mol×K	1207.40	Joback Calculated Property
Cp,gas	1471.43	J/mol×K	1245.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Lithocholic acid.

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.