Chemical Properties of Dexamethasone (CAS 50-02-2)

InChI

InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15?,16?,17+,19?,20?,21-,22?/m0/s1

InChI Key

UREBDLICKHMUKA-GCMAGEFQSA-N

Formula

C22H29FO5

SMILES

CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO

Molecular Weight¹

392.46

CAS

50-02-2

Other Names

• (11.beta.,16.alpha.)-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1.4-diene-3,20-dione
• (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
• 1-dehydro-16.alpha.-methyl-9.alpha.-fluorohydrocortisone
• 16.alpha.-methyl-9.alpha.-fluoro-1,4-pregnadiene-11.beta.,17.alpha.,21-triol-3,20-dione
• 9-fluoro-11.beta.,17,21-trihydroxy-16.alpha.-methylpregna-1,4-diene-3,20-dione
• 9.alpha.-fluoro-16.alpha.-methylprednisolone
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11«beta»,16«alpha»)-
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11«beta»,16«alpha»)-
• decacortin
• dexacortal
• «delta»
• «delta»

• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfG°	-542.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1056.40	kJ/mol	Joback Calculated Property
ΔfusH°	32.38	kJ/mol	Joback Calculated Property
ΔvapH°	120.70	kJ/mol	Joback Calculated Property
log10WS	[-3.68; -3.59]
log10WS	-3.59		Estimat...
log10WS	-3.68		Aq. Sol...
logPoct/wat	1.896		Crippen Calculated Property
McVol	291.320	ml/mol	McGowan Calculated Property
Pc	1973.55	kPa	Joback Calculated Property
Inp	2970.00		NIST
Tboil	1134.15	K	Joback Calculated Property
Tc	1389.42	K	Joback Calculated Property
Tfus	535.65	K	Aq. Sol...
Vc	1.103	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1266.64; 1708.64]	J/mol×K	[1134.15; 1389.42]
Cp,gas	1266.64	J/mol×K	1134.15	Joback Calculated Property
Cp,gas	1322.47	J/mol×K	1176.69	Joback Calculated Property
Cp,gas	1384.52	J/mol×K	1219.24	Joback Calculated Property
Cp,gas	1453.49	J/mol×K	1261.78	Joback Calculated Property
Cp,gas	1530.04	J/mol×K	1304.33	Joback Calculated Property
Cp,gas	1614.86	J/mol×K	1346.87	Joback Calculated Property
Cp,gas	1708.64	J/mol×K	1389.42	Joback Calculated Property
ΔfusH	42.02	kJ/mol	539.00	NIST

Similar Compounds

Find more compounds similar to Dexamethasone.

Mixtures

• Carbon dioxide + Dexamethasone
• Carbon dioxide + Dexamethasone + Ethanol

Sources

• Crippen Method
• Solubility of Dexamethasone in Supercritical Carbon Dioxide
• Solubility of Dexamethasone in Supercritical Carbon Dioxide with and without a Cosolvent
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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