Chemical Properties of Nadolol tri-TMS derivative (CAS 82272-01-3)

InChI

InChI=1S/C26H51NO4Si3/c1-26(2,3)27-18-21(29-32(4,5)6)19-28-23-15-13-14-20-16-24(30-33(7,8)9)25(17-22(20)23)31-34(10,11)12/h13-15,21,24-25,27H,16-19H2,1-12H3

InChI Key

JHQUYWHNGQKRAA-UHFFFAOYSA-N

Formula

C26H51NO4Si3

SMILES

CC(C)(C)NCC(COc1cccc2c1CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2)O[Si](C)(C)C

Molecular Weight¹

525.94

CAS

82272-01-3

Other Names

• Nadolol, O,O',O''-tris(trimethylsilyl)-
• Nadolol, tris-O-TMS
• Nadolol tris-TMS
• Nadolol, tris(trimethylsilyl) ether
• Nadolol, 3tms 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	0.8784		Relay (1.0) Calculated Property
ΔfG°	-94.50	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1065.87	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	100.25	kJ/mol	Relay (1.0) Calculated Property
IE	7.80	eV	Relay (1.0) Calculated Property
log10WS	-4.05		Relay (1.0) Calculated Property
logPoct/wat	6.212		Crippen Calculated Property
Pc	60.50	kPa	Relay (1.0-beta) Calculated Property
Inp	[2468.00; 2468.00]
Inp	2468.00		NIST
Inp	2468.00		NIST
Tboil	695.03	K	Relay (1.0) Calculated Property
Tc	891.01	K	Relay (1.0) Calculated Property
Tfus	344.65	K	Relay (1.0) Calculated Property
Vc	1.730	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Nadolol tri-TMS derivative.

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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