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_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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[452.93; 1307.30]	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			-2.91058e+02
Coefficient B			3.42296e+00
Coefficient C			-2.83040e-03
Coefficient D			1.00580e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	452.93	J/mol×K	273.00	Calculated Property
Cp,gas	610.20	J/mol×K	353.78	Calculated Property
Cp,gas	744.46	J/mol×K	434.56	Calculated Property
Cp,gas	858.89	J/mol×K	515.33	Calculated Property
Cp,gas	956.68	J/mol×K	596.11	Calculated Property
Cp,gas	1041.01	J/mol×K	676.89	Calculated Property
Cp,gas	1115.06	J/mol×K	757.67	Calculated Property
Cp,gas	1182.00	J/mol×K	838.44	Calculated Property
Cp,gas	1245.02	J/mol×K	919.22	Calculated Property
Cp,gas	1307.30	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to hyocholic 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
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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