Chemical Properties of Homooursodeoxycholic acid, acetate-methyl ester

Homooursodeoxycholic acid, acetate-methyl ester

PDF Excel Molecule Calculator
InChI
InChI=1S/C30H48O6/c1-18(8-7-9-27(33)34-6)23-10-11-24-28-25(13-15-30(23,24)5)29(4)14-12-22(35-19(2)31)16-21(29)17-26(28)36-20(3)32/h18,21-26,28H,7-17H2,1-6H3/t18-,21?,22-,23?,24?,25?,26+,28?,29+,30-/m0/s1
InChI Key
FZQNQAANPWUHFK-GUMFYILMSA-N
Formula
C30H48O6
SMILES
COC(=O)CCCC(C)C1CCC2C3C(OC(C)=O)CC4CC(OC(C)=O)CCC4(C)C3CCC12C
Molecular Weight1
504.70
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 -369.51 kJ/mol Joback Calculated Property
Δfgas -1213.03 kJ/mol Joback Calculated Property
Δfus 53.09 kJ/mol Joback Calculated Property
Δvap 106.12 kJ/mol Joback Calculated Property
log10WS -6.84 Crippen Calculated Property
logPoct/wat 6.098 Crippen Calculated Property
McVol 412.440 ml/mol McGowan Calculated Property
Pc 874.28 kPa Joback Calculated Property
Inp 3503.00 NIST
Tboil 1139.67 K Joback Calculated Property
Tc 1395.58 K Joback Calculated Property
Tfus 710.10 K Joback Calculated Property
Vc 1.560 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1684.41; 1938.77] J/mol×K [1139.67; 1395.58] Show Hide
Cp,gas 1684.41 J/mol×K 1139.67 Joback Calculated Property
Cp,gas 1722.03 J/mol×K 1182.32 Joback Calculated Property
Cp,gas 1761.03 J/mol×K 1224.97 Joback Calculated Property
Cp,gas 1801.80 J/mol×K 1267.63 Joback Calculated Property
Cp,gas 1844.75 J/mol×K 1310.28 Joback Calculated Property
Cp,gas 1890.27 J/mol×K 1352.93 Joback Calculated Property
Cp,gas 1938.77 J/mol×K 1395.58 Joback Calculated Property

Similar Compounds

Homochenodeoxycholic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«alpha»)-. Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«beta»)-. Isoursodeoxycholic acid, acetate-methyl ester. Isochenodeoxycholic acid, acetate-methyl ester. Homocholic acid, acetate-methyl ester. Norchenodeoxycholic acid, acetate-methyl ester. Norursodeoxycholic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«beta»,12«alpha»)-. Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«alpha»,12«alpha»)-. 3«alpha»,7«alpha»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester. 3«alpha»,7«beta»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester. Norcholic acid, acetate-methyl ester. Cholan-24-oic acid, 3,6-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,6«alpha»)-. Murocholic acid, acetate-methyl ester.

Find more compounds similar to Homooursodeoxycholic acid, acetate-methyl ester.

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.