Chemical Properties of Tyr-Ala, N,O-bis(trimethylsilyl)-, trimethylsilyl ester

InChI

InChI=1S/C21H40N2O4Si3/c1-16(21(25)27-30(8,9)10)22-20(24)19(23-28(2,3)4)15-17-11-13-18(14-12-17)26-29(5,6)7/h11-14,16,19,23H,15H2,1-10H3,(H,22,24)

InChI Key

SNEXEGKZJOBIJV-UHFFFAOYSA-N

Formula

C21H40N2O4Si3

SMILES

CC(NC(=O)C(Cc1ccc(O[Si](C)(C)C)cc1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C

Molecular Weight¹

468.81

Other Names

• Trimethylsilyl N,O-bis(trimethylsilyl)-l-tyrosyl-l-alaninate

• 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	0.8630		Relay (... Calculated Property
ΔfG°	-167.19	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1077.18	kJ/mol	Relay (... Calculated Property
ΔvapH°	96.74	kJ/mol	Relay (... Calculated Property
IE	8.21	eV	Relay (... Calculated Property
log10WS	-3.18		Relay (... Calculated Property
logPoct/wat	4.119		Crippen Calculated Property
Pc	213.69	kPa	Relay (... Calculated Property ⚠️
Inp	[2413.20; 2413.20]
Inp	2413.20		NIST
Inp	2413.20		NIST
Tboil	621.86	K	Relay (... Calculated Property
Tc	869.63	K	Relay (... Calculated Property
Tfus	363.49	K	Relay (... Calculated Property
Vc	1.453	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Tyr-Ala, N,O-bis(trimethylsilyl)-, trimethylsilyl ester.

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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