Chemical Properties of «alpha»-Bisabolol, trimethylsilyl ether

InChI

InChI=1S/C18H34OSi/c1-15(2)9-8-14-18(4,19-20(5,6)7)17-12-10-16(3)11-13-17/h9-10,17H,8,11-14H2,1-7H3

InChI Key

XKSLVSPUDWKMNV-UHFFFAOYSA-N

Formula

C18H34OSi

SMILES

CC(C)=CCCC(C)(O[Si](C)(C)C)C1CC=C(C)CC1

Molecular Weight¹

294.55

Other Names

• «ALPHA»-bisabolol, tms 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	0.4696		Relay (... Calculated Property
ΔfG°	105.05	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-431.11	kJ/mol	Relay (... Calculated Property
ΔvapH°	71.53	kJ/mol	Relay (... Calculated Property
IE	8.05	eV	Relay (... Calculated Property
log10WS	-4.59		Relay (... Calculated Property
logPoct/wat	6.089		Crippen Calculated Property
Pc	1087.16	kPa	Relay (... Calculated Property ⚠️
Inp	[1743.40; 1743.40]
Inp	1743.40		NIST
Inp	1743.40		NIST
Tboil	573.98	K	Relay (... Calculated Property
Tc	737.41	K	Relay (... Calculated Property
Tfus	241.46	K	Relay (... Calculated Property
Vc	0.978	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Bisabolol, trimethylsilyl 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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