Chemical Properties of Cholan-24-oic acid, methyl ester, (5«beta»)- (CAS 2204-14-0)

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

InChI
InChI=1S/C25H42O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h17-22H,5-16H2,1-4H3
InChI Key
YHTRVWPOAJKWBV-UHFFFAOYSA-N
Formula
C25H42O2
SMILES
COC(=O)CCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C
Molecular Weight1
374.60
CAS
2204-14-0
Other Names
  • 5«beta»-Cholan-24-oic acid, methyl ester
  • Methyl cholanate
  • Methyl 5«beta»-cholanate
  • Methyl-5«beta»-cholan-24-oate
  • Methyl-5«beta»-cholanoate
  • 5«beta»-Cholanic acid methyl ester
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Physical Properties

Property Value Unit Source
ΔfusH° 34.01 kJ/mol Joback Calculated Property
log10WS -6.65 Relay (1.0) Calculated Property
logPoct/wat 6.625 Crippen Calculated Property
McVol 327.110 ml/mol McGowan Calculated Property
Inp [2906.00; 2906.00]   Show Hide
Inp 2906.00 NIST
Inp 2906.00 NIST
Tfus 368.80 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 [1176.57; 1351.28] J/mol×K [864.16; 1089.78] Show Hide
Cp,gas 1176.57 J/mol×K 864.16 Joback Calculated Property
Cp,gas 1205.49 J/mol×K 901.76 Joback Calculated Property
Cp,gas 1234.07 J/mol×K 939.37 Joback Calculated Property
Cp,gas 1262.62 J/mol×K 976.97 Joback Calculated Property
Cp,gas 1291.47 J/mol×K 1014.57 Joback Calculated Property
Cp,gas 1320.91 J/mol×K 1052.18 Joback Calculated Property
Cp,gas 1351.28 J/mol×K 1089.78 Joback Calculated Property

Similar Compounds

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

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

Sources

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