Chemical Properties of 3-Iodo-L-tyrosine, N,O-bis(trimethylsilyl)-, trimethylsilyl ester

InChI

InChI=1S/C18H34INO3Si3/c1-24(2,3)20-16(18(21)23-26(7,8)9)13-14-10-11-17(15(19)12-14)22-25(4,5)6/h10-12,16,20H,13H2,1-9H3

InChI Key

FMANXQITCFUTIG-UHFFFAOYSA-N

Formula

C18H34INO3Si3

SMILES

C[Si](C)(C)NC(Cc1ccc(O[Si](C)(C)C)c(I)c1)C(=O)O[Si](C)(C)C

Molecular Weight¹

523.63

Other Names

• 3-Iodo-l-tyrosine, 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	0.7377		Relay (1.0) Calculated Property
ΔfG°	-112.59	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-809.98	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	90.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-4.28		Relay (1.0) Calculated Property
logPoct/wat	5.219		Crippen Calculated Property
Pc	476.39	kPa	Relay (1.0-beta) Calculated Property
Inp	[2242.10; 2242.10]
Inp	2242.10		NIST
Inp	2242.10		NIST
Tboil	624.80	K	Relay (1.0) Calculated Property
Tc	857.91	K	Relay (1.0) Calculated Property
Tfus	343.30	K	Relay (1.0) Calculated Property
Vc	1.328	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-Iodo-L-tyrosine, 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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