Chemical Properties of Estradiol Cypionate (CAS 313-06-4)

InChI

InChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21-,22-,23+,24+,26+/m1/s1

InChI Key

UOACKFBJUYNSLK-XRKIENNPSA-N

Formula

C26H36O3

SMILES

CC12CCC3c4ccc(O)cc4CCC3C1CCC2OC(=O)CCC1CCCC1

Molecular Weight¹

396.56

CAS

313-06-4

Other Names

• Estra-1,3,5(10)-triene-3,17-diol (17«beta»)-, 17-cyclopentanepropanoate
• Cyclopentanepropionic acid, 17-ester with estradiol
• Dep-Estro
• Depo-estradiol cyclopentylpropionate
• Depo-Estradiol
• Depoestra
• Depofemin
• E. Ionate P.A.
• Estradep
• Estradiol cyclopentylpropionate
• Estradiol 17«beta»-cyclopentanepropionate
• Estradiol 17«beta»-cyclopentylpropionate
• Estradiol 17«beta»-cypionate
• Estradiol 17-cyclopentylpropionate
• Estradiol 17-cypionate
• Estradiol, 17-cyclopentanepropionate
• Estrapo
• Estro-Depo
• ECP
• Femogen CYP
• 17«beta»-Estradiol cyclopentanepropionate
• 17«beta»-Estradiol cyclopentylpropionate
• 17«beta»-Estradiol cypionate
• 17«beta»-Estradiol 17-cyclopentylpropionate
• Depoestradiol cypionate
• depGynogen
• (17«beta»)-Estra-1,3,5(10)-triene-3,17-diol 17«beta»-cyclopentanepropanoate
• 17«beta»-[(3-Cyclopentylpropanoyl)oxy]estra-1,3,5(10)-trien-3-ol
• Cyclopentanepropionic acid, 3-hydroxyestra-1,3,5(10)-trien-17«beta»-yl ester
• NSC 3354
• estra-1,3,5(10)-triene-3,17«beta»-diol 17-(cyclopentanepropionate)

• 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	[422.82; 1216.37]	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			-2.83428e+02
Coefficient B			3.23932e+00
Coefficient C			-2.63352e-03
Coefficient D			8.94000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	422.82	J/mol×K	273.00	Calculated Property
Cp,gas	572.55	J/mol×K	353.78	Calculated Property
Cp,gas	700.29	J/mol×K	434.56	Calculated Property
Cp,gas	808.87	J/mol×K	515.33	Calculated Property
Cp,gas	901.12	J/mol×K	596.11	Calculated Property
Cp,gas	979.87	J/mol×K	676.89	Calculated Property
Cp,gas	1047.94	J/mol×K	757.67	Calculated Property
Cp,gas	1108.17	J/mol×K	838.44	Calculated Property
Cp,gas	1163.37	J/mol×K	919.22	Calculated Property
Cp,gas	1216.37	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Estradiol Cypionate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.