Chemical Properties of Sarsasapogenin (CAS 126-19-2)

InChI

InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16?,17?,18-,19+,20?,21?,22?,23?,24?,25?,26?,27?/m0/s1

InChI Key

GMBQZIIUCVWOCD-NCYQLCQRSA-N

Formula

C27H44O3

SMILES

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C

Molecular Weight¹

416.64

CAS

126-19-2

Other Names

• Spirostan-3-ol, (3«beta»,5«beta»,25S)-
• 5«beta»-Spirostan-3«beta»-ol, (25S)-
• Parigenin
• (25S)-5«beta»-spirostan-3«beta»-ol

• 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	[1428.95; 1717.59]	J/mol×K	[1006.27; 1247.23]
Cp,gas	1428.95	J/mol×K	1006.27	Joback Calculated Property
Cp,gas	1469.35	J/mol×K	1046.43	Joback Calculated Property
Cp,gas	1512.10	J/mol×K	1086.59	Joback Calculated Property
Cp,gas	1557.75	J/mol×K	1126.75	Joback Calculated Property
Cp,gas	1606.85	J/mol×K	1166.91	Joback Calculated Property
Cp,gas	1659.94	J/mol×K	1207.07	Joback Calculated Property
Cp,gas	1717.59	J/mol×K	1247.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarsasapogenin.

Sources

• 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.