Chemical Properties of Methyl 5-«beta»-cholan-3-«alpha»-ol-12-one-24-oate

Methyl 5-«beta»-cholan-3-«alpha»-ol-12-one-24-oate

PDF Excel Molecule Calculator
InChI
InChI=1S/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-21,26H,5-14H2,1-4H3/t15?,16-,17-,18?,19?,20?,21?,24?,25?/m0/s1
InChI Key
BNXKKGNFJUFIND-OBBNEJRQSA-N
Formula
C25H40O4
SMILES
COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(=O)C12C
Molecular Weight1
404.58
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δf -195.47 kJ/mol Joback Calculated Property
Δfgas -889.82 kJ/mol Joback Calculated Property
Δfus 37.10 kJ/mol Joback Calculated Property
Δvap 97.91 kJ/mol Joback Calculated Property
log10WS -5.45 Crippen Calculated Property
logPoct/wat 4.774 Crippen Calculated Property
McVol 334.550 ml/mol McGowan Calculated Property
Pc 1245.09 kPa Joback Calculated Property
Inp [3308.00; 3308.00]   Show Hide
Inp 3308.00 NIST
Inp 3308.00 NIST
Tboil 1037.36 K Joback Calculated Property
Tc 1274.40 K Joback Calculated Property
Tfus 642.71 K Joback Calculated Property
Vc 1.260 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1332.80; 1536.04] J/mol×K [1037.36; 1274.40] Show Hide
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

24-Cholanoic acid, 3-hydroxy-12-oxo-, methyl ester. Methyl 5-«beta»-cholan-3-«alpha»-ol-7-one-24-oate. Methyl 5-«beta»-cholan-3-«alpha»,7-«alpha»-diol-12-one-24-oate. Methyl 5-«beta»-cholan-3-«alpha»,12-«alpha»-diol-7-one-24-oate. Methyl 5-«beta»-cholan-12-«alpha»-ol-3-one-24-oate. Androsterone. Androstan-17-one, 3-hydroxy-, (3«alpha»,5«beta»)-. Androstan-17-one, 3-hydroxy-, (3«beta»,5«beta»)-. Epiandrosterone. Cholan-24-oic acid, 7-hydroxy-3-oxo-, methyl ester, (5«beta»,7«alpha»)-. Androstane-11,17-dione, 3-hydroxy-, (3«alpha»,5«beta»)-. Androstane-11,17-dione, 3-hydroxy-, (3«alpha»,5«alpha»)-. 3«alpha»,21-dihydroxy-5«beta»-pregnane-11,20-dione. 5«alpha»-Cholan-24-oic acid, 7«alpha»,12«alpha»-dihydroxy-3-oxo-, methyl ester. Pregnan-3«alpha»-ol-20-one.

Find more compounds similar to Methyl 5-«beta»-cholan-3-«alpha»-ol-12-one-24-oate.

Sources

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.