Chemical Properties of hyocholic acid

InChI

InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)

InChI Key

DKPMWHFRUGMUKF-UHFFFAOYSA-N

Formula

C24H40O5

SMILES

CC(CCC(=O)O)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C

Molecular Weight¹

408.58

• 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	[1465.50; 1833.71]	J/mol×K	[1191.44; 1486.83]
Cp,gas	1465.50	J/mol×K	1191.44	Joback Calculated Property
Cp,gas	1513.96	J/mol×K	1240.67	Joback Calculated Property
Cp,gas	1566.65	J/mol×K	1289.90	Joback Calculated Property
Cp,gas	1624.27	J/mol×K	1339.13	Joback Calculated Property
Cp,gas	1687.52	J/mol×K	1388.36	Joback Calculated Property
Cp,gas	1757.10	J/mol×K	1437.60	Joback Calculated Property
Cp,gas	1833.71	J/mol×K	1486.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to hyocholic acid.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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