Chemical Properties of 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

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

InChI
InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)
InChI Key
DGABKXLVXPYZII-UHFFFAOYSA-N
Formula
C24H40O4
SMILES
CC(CCC(=O)O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C
Molecular Weight1
392.58
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Physical Properties

Property Value Unit Source
ΔfusH° 47.51 kJ/mol Joback Calculated Property
ΔvapH° 184.22 kJ/mol Relay (1.0) Calculated Property
log10WS -4.08 Aq. Solubility Prediction
logPoct/wat 4.478 Crippen Calculated Property
McVol 324.760 ml/mol McGowan Calculated Property
Tboil 706.74 K Relay (1.0) Calculated Property
Tfus 467.82 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [438.16; 1281.97] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.02288e+02
Coefficient B3.41546e+00
Coefficient C-2.85540e-03
Coefficient D1.02420e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 438.16 J/mol×K 273.00 Calculated Property
Cp,gas 594.00 J/mol×K 353.78 Calculated Property
Cp,gas 726.76 J/mol×K 434.56 Calculated Property
Cp,gas 839.68 J/mol×K 515.33 Calculated Property
Cp,gas 936.00 J/mol×K 596.11 Calculated Property
Cp,gas 1018.96 J/mol×K 676.89 Calculated Property
Cp,gas 1091.80 J/mol×K 757.67 Calculated Property
Cp,gas 1157.75 J/mol×K 838.44 Calculated Property
Cp,gas 1220.06 J/mol×K 919.22 Calculated Property
Cp,gas 1281.97 J/mol×K 1000.00 Calculated Property

Similar Compounds

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. hyocholic acid. Cholic acid. 3Beta,7beta,12beta-trihydroxy-5beta-cholan-24-oic acid. 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. Lithocholic acid. Pregnane-3,20-diol, (3«alpha»,5«beta»,20S)-. 5«beta»-Pregnan-3«beta»,20«alpha»-diol. Pregnane-3,20-diol, (3«alpha»,5«beta»)-. Allopregnane-3«alpha»,20«alpha»-diol. 5«beta»-Pregnan-3«beta»,20«beta»-diol. 5«alpha»-Pregnan-3«beta»,20«beta»-diol. Methyl cholate. allo-Cholanic (5«alpha») acid, methyl ester. Methyl-3beta,7beta,12beta-trihydroxy-5beta-cholan-24-oate.

Find more compounds similar to 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.

Sources

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