Chemical Properties of d4-Tyrosine, tri-TMS

InChI

InChI=1S/C18H35NO3Si3/c1-23(2,3)19-17(18(20)22-25(7,8)9)14-15-10-12-16(13-11-15)21-24(4,5)6/h10-13,17,19H,14H2,1-9H3/t17-/m1/s1/i10D,11D,12D,13D

InChI Key

WMWBCQXPKSQMOK-XMZQZYJVSA-N

Formula

C18H31D4NO3Si3

SMILES

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

Molecular Weight¹

401.76

• 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	0.7361		Relay (... Calculated Property
ΔfG°	-129.40	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-877.03	kJ/mol	Relay (... Calculated Property
ΔvapH°	84.64	kJ/mol	Relay (... Calculated Property
IE	8.34	eV	Relay (... Calculated Property
log10WS	-3.22		Relay (... Calculated Property
logPoct/wat	4.614		Crippen Calculated Property
Pc	520.97	kPa	Relay (... Calculated Property ⚠️
Inp	[1958.00; 1958.00]
Inp	1958.00		NIST
Inp	1958.00		NIST
Tboil	595.74	K	Relay (... Calculated Property
Tc	801.90	K	Relay (... Calculated Property
Tfus	328.29	K	Relay (... Calculated Property
Vc	1.277	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to d4-Tyrosine, tri-TMS.

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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