Chemical Properties of Cholan-24-oic acid, 3-oxo-, methyl ester, (5«beta»)- (CAS 1173-32-6)

Cholan-24-oic acid, 3-oxo-, methyl ester, (5«beta»)-

InChI
InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-17,19-22H,5-15H2,1-4H3
InChI Key
SRLWMUQGWKOYLX-UHFFFAOYSA-N
Formula
C25H40O3
SMILES
COC(=O)CCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
Molecular Weight1
388.58
CAS
1173-32-6
Other Names
  • Methyl 5-«beta»-cholan-3-one-24-oate
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Physical Properties

Property Value Unit Source
ΔfusH° 33.52 kJ/mol Joback Calculated Property
log10WS -5.73 Relay (1.0) Calculated Property
logPoct/wat 5.804 Crippen Calculated Property
McVol 328.680 ml/mol McGowan Calculated Property
Inp 3124.00 NIST
Tfus 392.42 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [1228.51; 1410.97] J/mol×K [931.98; 1167.44] Show Hide
Cp,gas 1228.51 J/mol×K 931.98 Joback Calculated Property
Cp,gas 1257.86 J/mol×K 971.22 Joback Calculated Property
Cp,gas 1287.21 J/mol×K 1010.47 Joback Calculated Property
Cp,gas 1316.88 J/mol×K 1049.71 Joback Calculated Property
Cp,gas 1347.18 J/mol×K 1088.95 Joback Calculated Property
Cp,gas 1378.44 J/mol×K 1128.20 Joback Calculated Property
Cp,gas 1410.97 J/mol×K 1167.44 Joback Calculated Property

Similar Compounds

Cholan-24-oic acid, 3,12-dioxo-, methyl ester, (5«alpha»)-. Methyl 5-«beta»-cholan-3,7-dione-24-oate. Cholan-24-oic acid, 3,7,12-trioxo-, methyl ester. 5«alpha»-Cholanic acid, methyl ester. 17«beta»(H),21«alpha»(H)-Bishomohopanoic acid methyl ester. 17«alpha»(H),21«beta»(H)-Bishomohopanoic acid methyl ester. 17«beta»(H),21«beta»(H)-Bishomohopanoic acid methyl ester. Cholan-24-oic acid, methyl ester, (5«beta»)-. 28-bishomopan-32-oic acid methyl ester. Decalin-6«beta»-pentanoic acid, «gamma»,1,1,5«beta»,7«alpha»-pentamethyl, methyl ester, # 2. Decalin-6«beta»-pentanoic acid, «gamma»,1,1,5«beta»,7«alpha»-pentamethyl, methyl ester, # 1. Decalin-6«beta»-pentanoic acid, «gamma»,1,1,5«beta»,7«alpha»-pentamethyl, methyl ester, # 3. 17«beta»(H),21«beta»(H)-Trishomohopanoic acid methyl ester. 17«beta»(H),21«beta»(H)-Homohopanoic acid methyl ester. 28-Norhomohopan-31-oic acid methyl ester.

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

Sources

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