Chemical Properties of Lithocholic acid (CAS 434-13-9)

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)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m0/s1

InChI Key

SMEROWZSTRWXGI-VKPXTEDRSA-N

Formula

C24H40O3

SMILES

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

Molecular Weight¹

376.57

CAS

434-13-9

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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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