Chemical Properties of Methyl 5-.beta.-cholan-3-.alpha.,7-.alpha.-diol-12-one-24-oate

Methyl 5-.beta.-cholan-3-.alpha.,7-.alpha.-diol-12-one-24-oate

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI Key
Molecular Weight1

Physical Properties

Property Value Unit Source
Δf -340.00 kJ/mol Joback Calculated Property
Δfgas -1062.39 kJ/mol Joback Calculated Property
Δfus 42.25 kJ/mol Joback Calculated Property
Δvap 114.28 kJ/mol Joback Calculated Property
logPoct/wat 3.75 Crippen Calculated Property
Pc 1298.60 kPa Joback Calculated Property
Tboil 1124.87 K Joback Calculated Property
Tc 1378.07 K Joback Calculated Property
Tfus 699.29 K Joback Calculated Property
Vc 1.28 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1427.29 J/mol×K 1124.87 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
-OH (alcohol) 2
-CH2- 2
-CH3 4
>C< (ring) 2
>C=O (ring) 1
>CH- (ring) 7
-CH2- (ring) 7

Similar Compounds

Methyl 5-«beta»-cholan-3-«alpha»-ol-12-one-24-oate. 24-Cholanoic acid, 3-hydroxy-12-oxo-, methyl ester. Methyl 5-.beta.-cholan-3-.alpha.,12-.alpha.-diol-7-one-24-oate. Cholan-24-oic acid, 7-hydroxy-3-oxo-, methyl ester, (5«beta»,7«alpha»)-. Methyl 5-.beta.-cholan-3-.alpha.-ol-7-one-24-oate. 5«alpha»-Cholan-24-oic acid, 7«alpha»,12«alpha»-dihydroxy-3-oxo-, methyl ester. Methyl 5-.beta.-cholan-12-.alpha.-ol-3-one-24-oate. 3-«alpha»,7-«alpha»-Dihydroxy-12-keto-5-«beta»-cholanoic acid, MeTMS. Cholan-24-oic acid, 3,12-dioxo-, methyl ester, (5.alpha.)-. 11Alpha-hydroxy-5alpha-pregnane-3,20-dione. Cholan-24-oic acid, 3,7,12-trioxo-, methyl ester. Calamenone. Cholan-24-oic acid, 3-(acetyloxy)-7-oxo-, methyl ester, (3«alpha»,5«beta»)-. trans-Androsterone, methyl ether. Androsterone, methyl ether.

Find more compounds similar to Methyl 5-.beta.-cholan-3-.alpha.,7-.alpha.-diol-12-one-24-oate.

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.