Chemical Properties of 3-(4-Hydroxyphenyl)propionic acid, tert-butyldimethylsilyl ether, tert-butyldimethylsilyl ester

InChI

InChI=1S/C21H38O3Si2/c1-20(2,3)25(7,8)23-18-14-11-17(12-15-18)13-16-19(22)24-26(9,10)21(4,5)6/h11-12,14-15H,13,16H2,1-10H3

InChI Key

IGVDMGCCKOIHCG-UHFFFAOYSA-N

Formula

C21H38O3Si2

SMILES

CC(C)(C)[Si](C)(C)OC(=O)CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1

Molecular Weight¹

394.70

Other Names

• 3-(4-Hydroxyphenyl)propionic acid, TBDMS
• Phloretic acid, 2tbdms 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	0.7606		Relay (... Calculated Property
ΔfG°	-141.89	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-867.15	kJ/mol	Relay (... Calculated Property
ΔvapH°	80.54	kJ/mol	Relay (... Calculated Property
IE	8.20	eV	Relay (... Calculated Property
log10WS	-4.98		Relay (... Calculated Property
logPoct/wat	6.552		Crippen Calculated Property
Pc	1222.82	kPa	Relay (... Calculated Property ⚠️
Inp	[2236.90; 2246.00]
Inp	2236.90		NIST
Inp	2246.00		NIST
Inp	2246.00		NIST
Inp	2236.90		NIST
Tboil	612.18	K	Relay (... Calculated Property
Tc	843.14	K	Relay (... Calculated Property
Tfus	343.21	K	Relay (... Calculated Property
Vc	1.298	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3-(4-Hydroxyphenyl)propionic 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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