Chemical Properties of 3Beta,17beta-diacetoxy-5alpha-androstan-16-ylidenacetic acid (CAS 18039-58-2)

InChI

InChI=1S/C25H36O6/c1-14(26)30-18-7-9-24(3)17(13-18)5-6-19-20(24)8-10-25(4)21(19)11-16(12-22(28)29)23(25)31-15(2)27/h12,17-21,23H,5-11,13H2,1-4H3,(H,28,29)/b16-12+

InChI Key

MFQVPGHQVVZKOB-FOWTUZBSSA-N

Formula

C25H36O6

SMILES

CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(OC(C)=O)C(=CC(=O)O)CC32)C1

Molecular Weight¹

432.55

CAS

18039-58-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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	[1322.11; 1537.32]	J/mol×K	[1070.30; 1316.54]
Cp,gas	1322.11	J/mol×K	1070.30	Joback Calculated Property
Cp,gas	1353.10	J/mol×K	1111.34	Joback Calculated Property
Cp,gas	1385.53	J/mol×K	1152.38	Joback Calculated Property
Cp,gas	1419.77	J/mol×K	1193.42	Joback Calculated Property
Cp,gas	1456.23	J/mol×K	1234.46	Joback Calculated Property
Cp,gas	1495.29	J/mol×K	1275.50	Joback Calculated Property
Cp,gas	1537.32	J/mol×K	1316.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3Beta,17beta-diacetoxy-5alpha-androstan-16-ylidenacetic 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
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.