Chemical Properties of Betamethasone-17-valerate

InChI

InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3

InChI Key

SNHRLVCMMWUAJD-UHFFFAOYSA-N

Formula

C27H37FO6

SMILES

CCCCC(=O)OC1(C(=O)CO)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C

Molecular Weight¹

476.58

Other Names

• [9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate

• 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

Property	Value	Unit	Source
ΔfG°	-597.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1252.17	kJ/mol	Joback Calculated Property
ΔfusH°	44.02	kJ/mol	Joback Calculated Property
ΔvapH°	124.30	kJ/mol	Joback Calculated Property
log10WS	[-4.71; -4.71]
log10WS	-4.71		Aq. Sol...
log10WS	-4.71		Estimat...
logPoct/wat	3.637		Crippen Calculated Property
McVol	363.340	ml/mol	McGowan Calculated Property
Pc	1296.73	kPa	Joback Calculated Property
Tboil	1232.66	K	Joback Calculated Property
Tc	1519.45	K	Joback Calculated Property
Tfus	456.65	K	Aq. Sol...
Vc	1.389	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1663.22; 2304.45]	J/mol×K	[1232.66; 1519.45]
Cp,gas	1663.22	J/mol×K	1232.66	Joback Calculated Property
Cp,gas	1743.91	J/mol×K	1280.46	Joback Calculated Property
Cp,gas	1833.80	J/mol×K	1328.26	Joback Calculated Property
Cp,gas	1933.84	J/mol×K	1376.05	Joback Calculated Property
Cp,gas	2044.99	J/mol×K	1423.85	Joback Calculated Property
Cp,gas	2168.21	J/mol×K	1471.65	Joback Calculated Property
Cp,gas	2304.45	J/mol×K	1519.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Betamethasone-17-valerate.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method

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