Chemical Properties of Adrenaline tetrakis(trimethylsilyl) (CAS 54947-77-2)

InChI

InChI=1S/C21H45NO3Si4/c1-22(26(2,3)4)17-21(25-29(11,12)13)18-14-15-19(23-27(5,6)7)20(16-18)24-28(8,9)10/h14-16,21H,17H2,1-13H3

InChI Key

GAEOAXOOVYAKOZ-UHFFFAOYSA-N

Formula

C21H45NO3Si4

SMILES

CN(CC(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1)[Si](C)(C)C

Molecular Weight¹

471.93

CAS

54947-77-2

Other Names

• Epinephrine, tetrakis-TMS
• Epinephrine, TMS
• Adrenaline, 4tms 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	0.7763		Relay (... Calculated Property
ΔfG°	-39.23	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-962.22	kJ/mol	Relay (... Calculated Property
ΔvapH°	74.40	kJ/mol	Relay (... Calculated Property
IE	8.02	eV	Relay (... Calculated Property
log10WS	-3.02		Relay (... Calculated Property
logPoct/wat	6.773		Crippen Calculated Property
Pc	199.49	kPa	Relay (... Calculated Property ⚠️
Inp	[2000.00; 2010.00]
Inp	2010.00		NIST
Inp	2000.00		NIST
Inp	2010.00		NIST
Tboil	594.74	K	Relay (... Calculated Property
Tc	800.10	K	Relay (... Calculated Property
Tfus	321.57	K	Relay (... Calculated Property
Vc	1.582	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Adrenaline tetrakis(trimethylsilyl).

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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