Chemical Properties of Estradiol Benzoate (CAS 50-50-0)

InChI

InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m0/s1

InChI Key

UYIFTLBWAOGQBI-PPWDSJTCSA-N

Formula

C25H28O3

SMILES

CC12CCC3c4ccc(OC(=O)c5ccccc5)cc4CCC3C1CCC2O

Molecular Weight¹

376.49

CAS

50-50-0

Other Names

• Estra-1,3,5(10)-triene-3,17-diol (17«beta»)-, 3-benzoate
• Estradiol, 3-benzoate
• «beta»-Estradiol benzoate
• «beta»-Estradiol 3-benzoate
• Benovocylin
• Benzhormovarine
• Benzo-Gynoestryl
• Benzoestrofol
• Benzofoline
• De Graafina
• Diffollisterol
• Difolliculine
• Dimenformon benzoate
• Diogyn B
• Eston-B
• Estradiol monobenzoate
• Femestrone
• Graafina
• Gynecormone
• Gynformone
• Hidroestron
• Hormogynon
• Oestroform [BDH]
• Ovahormon benzoate
• Ovasterol-B
• Ovocyclin Benzoate
• Ovocyclin M
• Ovocyclin-MB
• Primogyn B
• Progynon benzoate
• Progynon B
• Recthormone oestradiol
• Solestro
• Unistradiol
• 1,3,5(10)-Estratriene-3,17«beta»-diol 3-benzoate
• 17«beta»-Estradiol benzoate
• 17«beta»-Estradiol 3-benzoate
• Benzoestrofol difolliculin
• Dihydroestrin benzoate
• Dihydrofolliculin benzoate
• Dimenformone
• Estra-1,3,5(10)-triene-3,17«beta»-diol, 3-benzoate
• Estradiol-17«beta» benzoate
• Estradiol-17«beta» 3-benzoate
• EBZ
• Follicormon
• Follidrin
• Hydroxyestrin benzoate
• MEE
• Oestradiol benzoate
• Oestradiol monobenzoate
• Oestroform
• Primogyn I
• 17«beta»-Estradiol monobenzoate
• Benzoate d'oestradiol
• Benzoic acid estradiol
• ODB
• Oestradiol 3-benzoate
• «beta»-Oestradiol benzoate
• «beta»-Oestradiol 3-benzoate
• 17-«beta»-Oestradiol 3-benzoate
• 1,3,5(10)-Oestratriene-3,17-«beta»-diol 3-benzoate
• Oestraform
• Primogyn boleosum
• Benzestrofol
• Benzogynestryl
• (17«beta»)-Estra-1,3,5(10)-triene-3,17-diol 3-benzoate
• Benztrone
• NSC-9566
• Pelanin benzoate
• 17-Hydroxyestra-1(10),2,4-trien-3-yl benzoate, (17«beta»)-
• 3-Benzoyloxy-17«beta»-hydroxyestra-1,3,5(10)-triene
• Estrogin
• Folone
• Mesalin

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1068.08; 1215.48]	J/mol×K	[1022.85; 1268.96]
Cp,gas	1068.08	J/mol×K	1022.85	Joback Calculated Property
Cp,gas	1090.64	J/mol×K	1063.87	Joback Calculated Property
Cp,gas	1113.61	J/mol×K	1104.89	Joback Calculated Property
Cp,gas	1137.29	J/mol×K	1145.91	Joback Calculated Property
Cp,gas	1161.96	J/mol×K	1186.92	Joback Calculated Property
Cp,gas	1187.93	J/mol×K	1227.94	Joback Calculated Property
Cp,gas	1215.48	J/mol×K	1268.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Estradiol Benzoate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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