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

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

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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
Δf 71.65 kJ/mol Joback Calculated Property
Δfgas -579.55 kJ/mol Joback Calculated Property
Δfus 32.43 kJ/mol Joback Calculated Property
Δvap 77.30 kJ/mol Joback Calculated Property
log10WS -6.80 Crippen Calculated Property
logPoct/wat 6.625 Crippen Calculated Property
McVol 327.110 ml/mol McGowan Calculated Property
Pc 1166.43 kPa Joback Calculated Property
Inp 2906.00 NIST
Tboil 882.03 K Joback Calculated Property
Tc 1109.48 K Joback Calculated Property
Tfus 517.91 K Joback Calculated Property
Vc 1.234 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1188.40; 1368.73] J/mol×K [882.03; 1109.48] Show Hide
Cp,gas 1188.40 J/mol×K 882.03 Joback Calculated Property
Cp,gas 1217.75 J/mol×K 919.94 Joback Calculated Property
Cp,gas 1246.95 J/mol×K 957.85 Joback Calculated Property
Cp,gas 1276.33 J/mol×K 995.76 Joback Calculated Property
Cp,gas 1306.21 J/mol×K 1033.67 Joback Calculated Property
Cp,gas 1336.90 J/mol×K 1071.58 Joback Calculated Property
Cp,gas 1368.73 J/mol×K 1109.48 Joback Calculated Property

Similar Compounds

5«alpha»-Cholanic acid, methyl ester. 17«alpha»(H),21«beta»(H)-Bishomohopanoic acid methyl ester. 17«beta»(H),21«alpha»(H)-Bishomohopanoic acid methyl ester. 17«beta»(H),21«beta»(H)-Bishomohopanoic acid methyl ester. 28-bishomopan-32-oic acid methyl ester. 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. Octanoic acid, 4,6-dimethyl-, methyl ester, (4S,6S)-(+)-. Nonanoic acid, 4,6-dimethyl-, methyl ester. Cholan-24-oic acid, 3,7,12-trioxo-, methyl ester. 4-Methyldecanoic acid, methyl ester.

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

Sources

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