Chemical Properties of 5-Oxo-3,5-seco-a-norcholestan-3-oic acid (CAS 1508-94-7)

InChI

InChI=1S/C26H44O3/c1-17(2)7-6-8-18(3)20-10-11-21-19-9-12-23(27)26(5,16-14-24(28)29)22(19)13-15-25(20,21)4/h17-22H,6-16H2,1-5H3,(H,28,29)

InChI Key

YSWDCQJTPYALJE-UHFFFAOYSA-N

Formula

C26H44O3

SMILES

CC(C)CCCC(C)C1CCC2C3CCC(=O)C(C)(CCC(=O)O)C3CCC12C

Molecular Weight¹

404.63

CAS

1508-94-7

• 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	[1374.14; 1579.18]	J/mol×K	[1031.04; 1263.41]
Cp,gas	1374.14	J/mol×K	1031.04	Joback Calculated Property
Cp,gas	1405.29	J/mol×K	1069.77	Joback Calculated Property
Cp,gas	1437.23	J/mol×K	1108.50	Joback Calculated Property
Cp,gas	1470.29	J/mol×K	1147.22	Joback Calculated Property
Cp,gas	1504.77	J/mol×K	1185.95	Joback Calculated Property
Cp,gas	1540.96	J/mol×K	1224.68	Joback Calculated Property
Cp,gas	1579.18	J/mol×K	1263.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Oxo-3,5-seco-a-norcholestan-3-oic acid.

Sources

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

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