Chemical Properties of 4-OH-Lys, TMS, # 1

InChI

InChI=1S/C18H46N2O3Si4/c1-24(2,3)19-14-13-16(22-26(7,8)9)15-17(20-25(4,5)6)18(21)23-27(10,11)12/h16-17,19-20H,13-15H2,1-12H3

InChI Key

OABDMURGUMXBDF-UHFFFAOYSA-N

Formula

C18H46N2O3Si4

SMILES

C[Si](C)(C)NCCC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C

Molecular Weight¹

450.91

• 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	0.7896		Relay (1.0) Calculated Property
ΔfG°	-161.09	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1157.84	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	77.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-1.88		Relay (1.0) Calculated Property
logPoct/wat	4.582		Crippen Calculated Property
Pc	158.00	kPa	Relay (1.0-beta) Calculated Property
Inp	[1890.00; 1890.00]
Inp	1890.00		NIST
Inp	1890.00		NIST
Tboil	574.16	K	Relay (1.0) Calculated Property
Tc	760.47	K	Relay (1.0) Calculated Property
Tfus	301.28	K	Relay (1.0) Calculated Property
Vc	1.515	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 4-OH-Lys, TMS, # 1.

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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