Chemical Properties of Methyl 5-«beta»-cholan-3-«alpha»-ol-7-one-24-oate

InChI

InChI=1S/C25H40O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-20,23,26H,5-14H2,1-4H3/t15?,16-,17+,18?,19?,20?,23?,24?,25?/m1/s1

InChI Key

FNBYYFMYNRYPPC-JHRZSANKSA-N

Formula

C25H40O4

SMILES

COC(=O)CCC(C)C1CCC2C3C(=O)CC4CC(O)CCC4(C)C3CCC12C

Molecular Weight¹

404.58

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[1332.80; 1536.04]	J/mol×K	[1037.36; 1274.40]
Cp,gas	1332.80	J/mol×K	1037.36	Joback Calculated Property
Cp,gas	1363.62	J/mol×K	1076.87	Joback Calculated Property
Cp,gas	1395.25	J/mol×K	1116.37	Joback Calculated Property
Cp,gas	1427.99	J/mol×K	1155.88	Joback Calculated Property
Cp,gas	1462.15	J/mol×K	1195.39	Joback Calculated Property
Cp,gas	1498.07	J/mol×K	1234.90	Joback Calculated Property
Cp,gas	1536.04	J/mol×K	1274.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl 5-«beta»-cholan-3-«alpha»-ol-7-one-24-oate.

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.
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