Chemical Properties of 2-Hydroxyhippuric acid, tert-butyldimethylsilyl ether, tert-butyldimethylsilyl ester

InChI

InChI=1S/C21H37NO4Si2/c1-20(2,3)27(7,8)25-17-14-12-11-13-16(17)19(24)22-15-18(23)26-28(9,10)21(4,5)6/h11-14H,15H2,1-10H3,(H,22,24)

InChI Key

XLUDASZJNZYLKY-UHFFFAOYSA-N

Formula

C21H37NO4Si2

SMILES

CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)c1ccccc1O[Si](C)(C)C(C)(C)C

Molecular Weight¹

423.69

Other Names

• 2-Hydroxyhippuric acid, TBDMS

• 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	0.8378		Relay (... Calculated Property
ΔfG°	-189.12	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1009.26	kJ/mol	Relay (... Calculated Property
ΔvapH°	86.34	kJ/mol	Relay (... Calculated Property
IE	8.52	eV	Relay (... Calculated Property
log10WS	-4.64		Relay (... Calculated Property
logPoct/wat	5.349		Crippen Calculated Property
Pc	1138.67	kPa	Relay (... Calculated Property ⚠️
Inp	[2545.00; 2545.00]
Inp	2545.00		NIST
Inp	2545.00		NIST
Tboil	630.98	K	Relay (... Calculated Property
Tc	904.97	K	Relay (... Calculated Property
Tfus	391.09	K	Relay (... Calculated Property
Vc	1.317	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxyhippuric acid, tert-butyldimethylsilyl ether, tert-butyldimethylsilyl 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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