Chemical Properties of Hydromorphone, tert-butyldimethylsilyl ether

InChI

InChI=1S/C23H33NO3Si/c1-22(2,3)28(5,6)27-18-10-7-14-13-16-15-8-9-17(25)21-23(15,11-12-24(16)4)19(14)20(18)26-21/h7,10,15-16,21H,8-9,11-13H2,1-6H3

InChI Key

KUWFPLDSIPVEIK-UHFFFAOYSA-N

Formula

C23H33NO3Si

SMILES

CN1CCC23c4c5ccc(O[Si](C)(C)C(C)(C)C)c4OC2C(=O)CCC3C1C5

Molecular Weight¹

399.60

Other Names

• Hydromorphone, tbdms derivative

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• 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
ω	0.6904		Relay (... Calculated Property
ΔfG°	13.70	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-521.59	kJ/mol	Relay (... Calculated Property
ΔvapH°	104.34	kJ/mol	Relay (... Calculated Property
IE	7.80	eV	Relay (... Calculated Property
log10WS	-3.33		Relay (... Calculated Property
logPoct/wat	4.309		Crippen Calculated Property
Pc	926.41	kPa	Relay (... Calculated Property ⚠️
Inp	[2822.50; 2822.50]
Inp	2822.50		NIST
Inp	2822.50		NIST
Tboil	679.58	K	Relay (... Calculated Property
Tc	1000.20	K	Relay (... Calculated Property
Tfus	439.58	K	Relay (... Calculated Property
Vc	1.207	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Hydromorphone, tert-butyldimethylsilyl ether.

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
• Crippen Method
• NIST Webbook

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