Chemical Properties of (-)-Myrtenol, trimethylsilyl ether

InChI

InChI=1S/C13H24OSi/c1-13(2)11-7-6-10(12(13)8-11)9-14-15(3,4)5/h6,11-12H,7-9H2,1-5H3

InChI Key

SXFRDEDUVCJACW-UHFFFAOYSA-N

Formula

C13H24OSi

SMILES

CC1(C)C2CC=C(CO[Si](C)(C)C)C1C2

Molecular Weight¹

224.41

Other Names

• (-)-Myrtenol, 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	0.3776		Relay (... Calculated Property
ΔfG°	54.08	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-344.64	kJ/mol	Relay (... Calculated Property
ΔvapH°	59.01	kJ/mol	Relay (... Calculated Property
IE	8.66	eV	Relay (... Calculated Property
log10WS	-3.54		Relay (... Calculated Property
logPoct/wat	3.830		Crippen Calculated Property
Pc	1877.58	kPa	Relay (... Calculated Property ⚠️
Inp	[1302.20; 1302.20]
Inp	1302.20		NIST
Inp	1302.20		NIST
Tboil	507.52	K	Relay (... Calculated Property
Tc	732.09	K	Relay (... Calculated Property
Tfus	287.15	K	Relay (... Calculated Property
Vc	0.722	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to (-)-Myrtenol, 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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