Chemical Properties of Lithocholic acid (CAS 434-13-9)

Lithocholic acid

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InChI
InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m0/s1
InChI Key
SMEROWZSTRWXGI-VKPXTEDRSA-N
Formula
C24H40O3
SMILES
CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
Molecular Weight1
376.57
CAS
434-13-9
Other Names
  • Cholan-24-oic acid, 3-hydroxy-, (3«alpha»,5«beta»)-
  • 5«beta»-Cholan-24-oic acid, 3«alpha»-hydroxy-
  • Lithocolic acid
  • 3«alpha»-Hydroxy-5«beta»-cholanic acid
  • 3«alpha»-Hydroxy-5«beta»-cholanoic acid
  • 3«alpha»-Hydroxycholanic acid
  • 3-Hydroxycholan-24-oic acid
  • 5«beta»-Cholanic acid-3«alpha»-ol
  • 5-«beta»-Cholanic acid, 3-«alpha»-hydroxy-
  • 17-«beta»-(1-Methyl-3-carboxypropyl)ethiocholan-3-«alpha»-ol
  • NCI-C03861
  • 3«alpha»-Hydroxy-5«beta»-cholan-24-oic acid
  • NSC 683770
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Physical Properties

Property Value Unit Source
Δf -113.12 kJ/mol Joback Calculated Property
Δfgas -751.49 kJ/mol Joback Calculated Property
Δfus 37.90 kJ/mol Joback Calculated Property
Δvap 105.71 kJ/mol Joback Calculated Property
log10WS -5.99 Crippen Calculated Property
logPoct/wat 5.507 Crippen Calculated Property
McVol 318.890 ml/mol McGowan Calculated Property
Pc 1409.07 kPa Joback Calculated Property
Tboil 1016.42 K Joback Calculated Property
Tc 1245.60 K Joback Calculated Property
Tfus 462.00 ± 4.00 K NIST
Vc 1.198 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1266.26; 1471.43] J/mol×K [1016.42; 1245.60] Show Hide
Cp,gas 1266.26 J/mol×K 1016.42 Joback Calculated Property
Cp,gas 1296.46 J/mol×K 1054.62 Joback Calculated Property
Cp,gas 1327.80 J/mol×K 1092.81 Joback Calculated Property
Cp,gas 1360.63 J/mol×K 1131.01 Joback Calculated Property
Cp,gas 1395.29 J/mol×K 1169.20 Joback Calculated Property
Cp,gas 1432.10 J/mol×K 1207.40 Joback Calculated Property
Cp,gas 1471.43 J/mol×K 1245.60 Joback Calculated Property

Similar Compounds

4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid. 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid. Cholic acid. 3Beta,7beta,12beta-trihydroxy-5beta-cholan-24-oic acid. 4-(3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid. 5«beta»-Campestanol (24«alpha»-methyl-5«beta»-cholestan-3«beta»-ol). Epicholestanol. Cholestanol. Ergostanol. Cholestan-3-ol, (3«alpha»,5«beta»)-. epi-5«beta»-Campestanol (24«alpha»-methyl-5«beta»-cholestan-3«alpha»-ol). Cholestan-3-ol, (3«beta»,5«beta»)-. epi-5«beta»-Stigmastanol (24«beta»-ethyl-5«beta»-cholestan-3«alpha»-ol). 5«alpha»-Stigmastan-3«beta»-ol. 5«beta»-Stigmastanol (24«beta»-ethyl-5«beta»-cholestan-3«beta»-ol).

Find more compounds similar to Lithocholic acid.

Sources

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