Chemical Properties of Androst-5-ene-16beta-propionic acid,3beta,17beta-dihydroxy-, delta-lactone

InChI

InChI=1S/C22H32O3/c1-21-9-7-15(23)12-14(21)4-5-16-17(21)8-10-22(2)18(16)11-13-3-6-19(24)25-20(13)22/h4,13,15-18,20,23H,3,5-12H2,1-2H3

InChI Key

FQKKTVCAEAFHLR-UHFFFAOYSA-N

Formula

C22H32O3

SMILES

CC12CCC(O)CC1=CCC1C2CCC2(C)C1CC1CCC(=O)OC12

Molecular Weight¹

344.49

• 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	[359.26; 1087.21]	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			-3.18190e+02
Coefficient B			3.17794e+00
Coefficient C			-2.84344e-03
Coefficient D			1.07090e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	359.26	J/mol×K	273.00	Calculated Property
Cp,gas	497.63	J/mol×K	353.78	Calculated Property
Cp,gas	613.73	J/mol×K	434.56	Calculated Property
Cp,gas	710.94	J/mol×K	515.33	Calculated Property
Cp,gas	792.65	J/mol×K	596.11	Calculated Property
Cp,gas	862.24	J/mol×K	676.89	Calculated Property
Cp,gas	923.11	J/mol×K	757.67	Calculated Property
Cp,gas	978.64	J/mol×K	838.44	Calculated Property
Cp,gas	1032.21	J/mol×K	919.22	Calculated Property
Cp,gas	1087.21	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Androst-5-ene-16beta-propionic acid,3beta,17beta-dihydroxy-, delta-lactone.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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