Chemical Properties of Cholest-5-en-3-ol (3«beta»)-, propanoate (CAS 633-31-8)

InChI

InChI=1S/C30H50O2/c1-7-28(31)32-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h11,20-21,23-27H,7-10,12-19H2,1-6H3/t21-,23+,24+,25-,26+,27+,29+,30-/m0/s1

InChI Key

CCORPVHYPHHRKB-YRQGZSEKSA-N

Formula

C30H50O2

SMILES

CCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1

Molecular Weight¹

442.72

CAS

633-31-8

Other Names

• Cholesteryl propionate
• Cholesterol n-propionate
• Cholesterol, propionate
• Propionyloxy-3«beta» cholestene-5
• 3«beta»-Propanoyloxycholest-5-ene
• cholest-5-en-3«beta»-yl propionate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[534.39; 1504.38]	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			-2.88996e+02
Coefficient B			3.75532e+00
Coefficient C			-2.98804e-03
Coefficient D			1.02610e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	534.39	J/mol×K	273.00	Calculated Property
Cp,gas	711.01	J/mol×K	353.78	Calculated Property
Cp,gas	862.84	J/mol×K	434.56	Calculated Property
Cp,gas	993.14	J/mol×K	515.33	Calculated Property
Cp,gas	1105.15	J/mol×K	596.11	Calculated Property
Cp,gas	1202.11	J/mol×K	676.89	Calculated Property
Cp,gas	1287.27	J/mol×K	757.67	Calculated Property
Cp,gas	1363.87	J/mol×K	838.44	Calculated Property
Cp,gas	1435.16	J/mol×K	919.22	Calculated Property
Cp,gas	1504.38	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cholest-5-en-3-ol (3«beta»)-, propanoate.

Sources

• Cheméo Relay (1.0)
• 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
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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