Chemical Properties of 4-Phenylbutan-2-ol, tert-butyldimethylsilyl ether

InChI

InChI=1S/C16H28OSi/c1-14(17-18(5,6)16(2,3)4)12-13-15-10-8-7-9-11-15/h7-11,14H,12-13H2,1-6H3

InChI Key

NDUAJYXGZATIGE-UHFFFAOYSA-N

Formula

C16H28OSi

SMILES

CC(CCc1ccccc1)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

264.48

Other Names

• 2-Butanol, 4-phenyl-O-tert-butyldimethylsilyl-
• 2-tert-Butyldimethylsilyloxy-4-phenylbutane

• 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	0.5136		Relay (1.0) Calculated Property
ΔfG°	98.13	kJ/mol	Relay (1.0-beta) Calculated Property ⚠️
ΔfH°gas	-334.90	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	67.35	kJ/mol	Relay (1.0) Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
log10WS	-3.46		Relay (1.0) Calculated Property
logPoct/wat	5.030		Crippen Calculated Property
Pc	1766.56	kPa	Relay (1.0-beta) Calculated Property ⚠️
Inp	[1601.00; 1601.00]
Inp	1601.00		NIST
Inp	1601.00		NIST
Tboil	552.88	K	Relay (1.0) Calculated Property
Tc	752.55	K	Relay (1.0) Calculated Property
Tfus	263.11	K	Relay (1.0) Calculated Property
Vc	0.883	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 4-Phenylbutan-2-ol, tert-butyldimethylsilyl ether.

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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