Chemical Properties of 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

InChI

InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)

InChI Key

RUDATBOHQWOJDD-UHFFFAOYSA-N

Formula

C24H40O4

SMILES

CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C

Molecular Weight¹

392.58

Other Names

• 3,7-Dihydroxycholan-24-oic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[438.16; 1281.97]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = 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 B			3.41546e+00
Coefficient C			-2.85540e-03
Coefficient D			1.02420e-06
Coefficient E			0.00000e+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

Find more compounds similar to 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.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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