Chemical Properties of Norcholic acid, acetate-methyl ester

Norcholic acid, acetate-methyl ester

InChI
InChI=1S/C30H46O8/c1-16(12-27(34)35-7)22-8-9-23-28-24(15-26(30(22,23)6)38-19(4)33)29(5)11-10-21(36-17(2)31)13-20(29)14-25(28)37-18(3)32/h16,20-26,28H,8-15H2,1-7H3
InChI Key
ACMPEIVMCVNWOD-UHFFFAOYSA-N
Formula
C30H46O8
SMILES
COC(=O)CC(C)C1CCC2C3C(OC(C)=O)CC4CC(OC(C)=O)CCC4(C)C3CC(OC(C)=O)C12C
Molecular Weight1
534.69
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
ΔfusH° 63.28 kJ/mol Joback Calculated Property
logPoct/wat 4.859 Crippen Calculated Property
McVol 419.880 ml/mol McGowan Calculated Property
Inp [3235.00; 3235.00]   Show Hide
Inp 3235.00 NIST
Inp 3235.00 NIST

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 [1686.61; 1896.71] J/mol×K [1139.21; 1395.39] Show Hide
Cp,gas 1686.61 J/mol×K 1139.21 Joback Calculated Property
Cp,gas 1718.65 J/mol×K 1181.91 Joback Calculated Property
Cp,gas 1751.39 J/mol×K 1224.60 Joback Calculated Property
Cp,gas 1785.19 J/mol×K 1267.30 Joback Calculated Property
Cp,gas 1820.43 J/mol×K 1310.00 Joback Calculated Property
Cp,gas 1857.48 J/mol×K 1352.69 Joback Calculated Property
Cp,gas 1896.71 J/mol×K 1395.39 Joback Calculated Property

Similar Compounds

Homocholic acid, acetate-methyl ester. 3«alpha»,7«alpha»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«beta»,12«alpha»)-. 3«alpha»,7«beta»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«alpha»,12«alpha»)-. Norchenodeoxycholic acid, acetate-methyl ester. Norursodeoxycholic acid, acetate-methyl ester. 24-Norcholan-23-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-. Homooursodeoxycholic acid, acetate-methyl ester. Homochenodeoxycholic acid, acetate-methyl ester. Isochenodeoxycholic 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. Cholan-24-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-.

Find more compounds similar to Norcholic 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.
These property values are available through the Cheméo API. A free account gives you an access key.