Chemical Properties of Salicyluric acid, tris(trimethylsilyl)- deriv.

InChI

InChI=1S/C18H33NO4Si3/c1-24(2,3)21-16-13-11-10-12-15(16)18(23-26(7,8)9)19-14-17(20)22-25(4,5)6/h10-13H,14H2,1-9H3

InChI Key

JBFNXVAKDSIUSE-UHFFFAOYSA-N

Formula

C18H33NO4Si3

SMILES

C[Si](C)(C)OC(=O)CN=C(O[Si](C)(C)C)c1ccccc1O[Si](C)(C)C

Molecular Weight¹

411.72

Other Names

• Hippuric acid, 2-hydroxy, TMS, #1

• 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	0.8222		Relay (1.0) Calculated Property
ΔfG°	-204.82	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-993.98	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	78.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-3.63		Relay (1.0) Calculated Property
logPoct/wat	4.877		Crippen Calculated Property
Pc	597.70	kPa	Relay (1.0-beta) Calculated Property
Inp	[1909.00; 1954.00]
Inp	1954.00		NIST
Inp	1909.00		NIST
Tboil	607.36	K	Relay (1.0) Calculated Property
Tc	808.53	K	Relay (1.0) Calculated Property
Tfus	314.35	K	Relay (1.0) Calculated Property
Vc	1.302	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Salicyluric acid, tris(trimethylsilyl)- deriv..

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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