Chemical Properties of Cholan-24-oic acid, 3,12-dioxo-, methyl ester, (5«alpha»)- (CAS 1174-86-3)

Cholan-24-oic acid, 3,12-dioxo-, methyl ester, (5«alpha»)-

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InChI
InChI=1S/C25H38O4/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/h15-16,18-21H,5-14H2,1-4H3/t15-,16+,18+,19-,20+,21+,24+,25-/m0/s1
InChI Key
VCWDOHJFKGOMRJ-HHHNRTIISA-N
Formula
C25H38O4
SMILES
COC(=O)CCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CC(=O)C12C
Molecular Weight1
402.57
CAS
1174-86-3
Other Names
  • Methyl 5-«beta»-cholan-3,12-dione-24-oate
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Physical Properties

Property Value Unit Source
Δf -173.53 kJ/mol Joback Calculated Property
Δfgas -854.95 kJ/mol Joback Calculated Property
Δfus 31.45 kJ/mol Joback Calculated Property
Δvap 85.79 kJ/mol Joback Calculated Property
log10WS -5.36 Crippen Calculated Property
logPoct/wat 4.983 Crippen Calculated Property
McVol 330.250 ml/mol McGowan Calculated Property
Pc 1224.27 kPa Joback Calculated Property
Inp [3281.00; 3281.00]   Show Hide
Inp 3281.00 NIST
Inp 3281.00 NIST
Tboil 1017.67 K Joback Calculated Property
Tc 1264.96 K Joback Calculated Property
Tfus 654.35 K Joback Calculated Property
Vc 1.248 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1291.03; 1488.53] J/mol×K [1017.67; 1264.96] Show Hide
Cp,gas 1291.03 J/mol×K 1017.67 Joback Calculated Property
Cp,gas 1321.80 J/mol×K 1058.89 Joback Calculated Property
Cp,gas 1353.00 J/mol×K 1100.10 Joback Calculated Property
Cp,gas 1384.95 J/mol×K 1141.32 Joback Calculated Property
Cp,gas 1417.98 J/mol×K 1182.53 Joback Calculated Property
Cp,gas 1452.40 J/mol×K 1223.75 Joback Calculated Property
Cp,gas 1488.53 J/mol×K 1264.96 Joback Calculated Property

Similar Compounds

Cholan-24-oic acid, 3,7,12-trioxo-, methyl ester. Methyl 5-«beta»-cholan-3,7-dione-24-oate. Cholan-24-oic acid, 3-oxo-, methyl ester, (5«beta»)-. 17«beta»(H),21«alpha»(H)-Bishomohopanoic acid methyl ester. 17«alpha»(H),21«beta»(H)-Bishomohopanoic acid methyl ester. 5«alpha»-Cholanic acid, methyl ester. Cholan-24-oic acid, methyl ester, (5«beta»)-. 17«beta»(H),21«beta»(H)-Bishomohopanoic acid methyl ester. 28-bishomopan-32-oic acid methyl ester. Dehydrocholic acid. 17«beta»(H),21«beta»(H)-Trishomohopanoic acid methyl ester. Methyl olean-3-oxo-28-oate. 5-Oxo-3,5-seco-a-norcholestan-3-oic acid. Methyl 5-«beta»-cholan-3-«alpha»-ol-12-one-24-oate. 24-Cholanoic acid, 3-hydroxy-12-oxo-, methyl ester.

Find more compounds similar to Cholan-24-oic acid, 3,12-dioxo-, methyl ester, (5«alpha»)-.

Sources

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