Chemical Properties of (-)-Myrtenol, picolinyloxydimethylsilyl ether

InChI

InChI=1S/C18H27NO2Si/c1-18(2)16-8-7-15(17(18)10-16)13-21-22(3,4)20-12-14-6-5-9-19-11-14/h5-7,9,11,16-17H,8,10,12-13H2,1-4H3

InChI Key

CDOLBKAHHNYMTE-UHFFFAOYSA-N

Formula

C18H27NO2Si

SMILES

CC1(C)C2CC=C(CO[Si](C)(C)OCc3cccnc3)C1C2

Molecular Weight¹

317.50

• 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	0.5470		Relay (... Calculated Property
ΔfG°	134.71	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-334.20	kJ/mol	Relay (... Calculated Property
ΔvapH°	88.86	kJ/mol	Relay (... Calculated Property
IE	8.97	eV	Relay (... Calculated Property
log10WS	-3.19		Relay (... Calculated Property
logPoct/wat	4.309		Crippen Calculated Property
Pc	1534.70	kPa	Relay (... Calculated Property ⚠️
Inp	[2090.20; 2090.20]
Inp	2090.20		NIST
Inp	2090.20		NIST
Tboil	609.37	K	Relay (... Calculated Property
Tc	885.88	K	Relay (... Calculated Property
Tfus	310.70	K	Relay (... Calculated Property
Vc	0.959	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to (-)-Myrtenol, picolinyloxydimethylsilyl 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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