Chemical Properties of 3-Hydroxymandelic acid, O,O-bis(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester

InChI

InChI=1S/C26H50O4Si3/c1-24(2,3)31(10,11)28-21-18-16-17-20(19-21)22(29-32(12,13)25(4,5)6)23(27)30-33(14,15)26(7,8)9/h16-19,22H,1-15H3

InChI Key

IUYHMCKPQSHYDV-UHFFFAOYSA-N

Formula

C26H50O4Si3

SMILES

CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)c1cccc(O[Si](C)(C)C(C)(C)C)c1

Molecular Weight¹

510.93

Other Names

• tert-Butyl(dimethyl)silyl pyrrol[tert-butyl(dimethyl)silyl]oxymorpho(3-pyrrol[tert-butyl(dimethyl)silyl]oxymorphophenyl)acetate
• 3-Hydroxymandelic acid, 3tbdms 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	0.8196		Relay (... Calculated Property
ΔfG°	-211.87	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1176.00	kJ/mol	Relay (... Calculated Property
ΔvapH°	79.65	kJ/mol	Relay (... Calculated Property
IE	7.93	eV	Relay (... Calculated Property
log10WS	-5.10		Relay (... Calculated Property
logPoct/wat	8.682		Crippen Calculated Property
Pc	785.45	kPa	Relay (... Calculated Property ⚠️
Inp	[2343.50; 2343.50]
Inp	2343.50		NIST
Inp	2343.50		NIST
Tboil	622.58	K	Relay (... Calculated Property
Tc	895.35	K	Relay (... Calculated Property
Tfus	357.28	K	Relay (... Calculated Property
Vc	1.691	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3-Hydroxymandelic acid, O,O-bis(tert-butyldimethylsilyl)-, 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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