Chemical Properties of Cortisone (CAS 53-06-5)

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-/m1/s1

InChI Key

MFYSYFVPBJMHGN-YKAMNDFBSA-N

Formula

SMILES

CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO

Molecular Weight¹

360.44

CAS

53-06-5

Other Names

11-Dehydro-17-hydroxycorticosterone
17,21-Dihydroxypregn-4-ene-3,11,20-trione
17-Hydroxy-11-dehydrocorticosterone
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
17Â«alphaÂ»,21-Dihydroxy-4-pregnene-3,11,20-trione
17Â«alphaÂ»,21Â«betaÂ»-Dihydroxypregn-4-ene-3,11,20-trione
17Â«alphaÂ»-Hydroxy-11-dehydrocorticosterone
4-Pregnene-17«alpha»,21-diol-3,11,20-trione
4-Pregnene-17Â«alphaÂ»,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-en-17Â«alphaÂ»,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
Â«DELTAÂ»4-pregnene-17Â«alphaÂ»,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_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_fusH : Enthalpy of fusion at a given temperature (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.

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Physical Properties

Property	Value	Unit	Source
Δ_cH°_solid	-11200.00 ± 20.00	kJ/mol	NIST
Δ_fG°	-350.86	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-857.46	kJ/mol	Joback Calculated Property
Δ_fusH°	25.06	kJ/mol	Joback Calculated Property
Δ_vapH°	108.33	kJ/mol	Joback Calculated Property
log₁₀WS	[-3.27; -3.11]
log₁₀WS	-3.17		Aq. Sol...
log₁₀WS	-3.11		Estimat...
log₁₀WS	-3.27		Rytting...
logP_oct/wat	1.990		Crippen Calculated Property
McVol	275.460	ml/mol	McGowan Calculated Property
P_c	2100.34	kPa	Joback Calculated Property
T_boil	1097.58	K	Joback Calculated Property
T_c	1347.99	K	Joback Calculated Property
T_fus	496.90	K	Aq. Sol...
V_c	1.036	m³/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[1137.52; 1435.13]	J/mol×K	[1097.58; 1347.99]

C_p,gas	1137.52	J/mol×K	1097.58	Joback Calculated Property
C_p,gas	1176.92	J/mol×K	1139.31	Joback Calculated Property
C_p,gas	1219.77	J/mol×K	1181.05	Joback Calculated Property
C_p,gas	1266.54	J/mol×K	1222.78	Joback Calculated Property
C_p,gas	1317.71	J/mol×K	1264.52	Joback Calculated Property
C_p,gas	1373.75	J/mol×K	1306.25	Joback Calculated Property
C_p,gas	1435.13	J/mol×K	1347.99	Joback Calculated Property
Δ_fusH	36.86	kJ/mol	495.00	NIST

Similar Compounds

Find more compounds similar to Cortisone.

Sources

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