Chemical Properties of Olivetol, tert-butyldimethylsilyl ether

InChI

InChI=1S/C17H30O2Si/c1-7-8-9-10-14-11-15(18)13-16(12-14)19-20(5,6)17(2,3)4/h11-13,18H,7-10H2,1-6H3

InChI Key

KGZSZJIYQGIZBU-UHFFFAOYSA-N

Formula

C17H30O2Si

SMILES

CCCCCc1cc(O)cc(O[Si](C)(C)C(C)(C)C)c1

Molecular Weight¹

294.50

Other Names

• Olivetol, tbdms 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	0.7804		Relay (1.0) Calculated Property
ΔfG°	-82.50	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-565.83	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	85.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
log10WS	-5.09		Relay (1.0) Calculated Property
logPoct/wat	5.509		Crippen Calculated Property
Pc	1790.87	kPa	Relay (1.0-beta) Calculated Property
Inp	[2006.40; 2006.40]
Inp	2006.40		NIST
Inp	2006.40		NIST
Tboil	600.72	K	Relay (1.0) Calculated Property
Tc	824.50	K	Relay (1.0) Calculated Property
Tfus	360.50	K	Relay (1.0) Calculated Property
Vc	0.948	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Olivetol, 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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