Chemical Properties of CORTISONE

InChI

InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1

InChI Key

MFYSYFVPBJMHGN-YKAMNDFBSA-N

Formula

C21H28O5

SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

Molecular Weight¹

360.45

Other Names

• 11-Dehydro-17-hydroxycorticosterone
• 17,21-Dihydroxypregn-4-ene-3,11,20-trione
• 17-Hydroxy-11-dehydrocorticosterone
• 17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
• 17«alpha»,21-Dihydroxy-4-pregnene-3,11,20-trione
• 17«alpha»,21«beta»-Dihydroxypregn-4-ene-3,11,20-trione
• 17«alpha»-Hydroxy-11-dehydrocorticosterone
• 4-Pregnene-17«alpha»,21-diol-3,11,20-trione
• Adrenalex
• Andreson
• Compound E
• Cortandren
• Cortisal
• Cortisate
• Cortisona
• Cortistal
• Cortivite
• Cortogen
• Cortone
• KE
• Kendall's Compound E
• NSC 9703
• Pregn-4-en-17«alpha»,21-diol-3,11,20-trione
• Pregn-4-ene-3,11,20-trione, 17,21-dihydroxy-
• Reichstein Fa
• Reichstein's Substance FA
• Wintersteiner's Compound F
• «DELTA»4-pregnene-17«alpha»,21-diol-3,11,20-trione

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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

Property	Value	Unit	Source
ΔcH°solid	-11200.00 ± 20.00	kJ/mol	NIST
ΔfusH°	25.06	kJ/mol	Joback Calculated Property
log10WS	[-3.27; -3.11]
log10WS	-3.11		Aq. Solubility Prediction
log10WS	-3.11		Estimated Solubility
log10WS	-3.27		Rytting (2005)
logPoct/wat	1.990		Crippen Calculated Property
McVol	275.460	ml/mol	McGowan Calculated Property
Tfus	491.88	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1137.52; 1435.13]	J/mol×K	[1097.58; 1347.99]
Cp,gas	1137.52	J/mol×K	1097.58	Joback Calculated Property
Cp,gas	1176.92	J/mol×K	1139.31	Joback Calculated Property
Cp,gas	1219.77	J/mol×K	1181.05	Joback Calculated Property
Cp,gas	1266.54	J/mol×K	1222.78	Joback Calculated Property
Cp,gas	1317.71	J/mol×K	1264.52	Joback Calculated Property
Cp,gas	1373.75	J/mol×K	1306.25	Joback Calculated Property
Cp,gas	1435.13	J/mol×K	1347.99	Joback Calculated Property
ΔfusH	36.86	kJ/mol	495.00	NIST

Similar Compounds

Find more compounds similar to CORTISONE.

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
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• 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.