Chemical Properties of 3-Vanilpropanol, bis(trimethylsilyl)-

InChI

InChI=1S/C16H30O3Si2/c1-17-16-13-14(9-8-12-18-20(2,3)4)10-11-15(16)19-21(5,6)7/h10-11,13H,8-9,12H2,1-7H3

InChI Key

TVSUPPZPVDKCMU-UHFFFAOYSA-N

Formula

C16H30O3Si2

SMILES

COc1cc(CCCO[Si](C)(C)C)ccc1O[Si](C)(C)C

Molecular Weight¹

326.58

Other Names

• 1-Propanol, 3-(4-hydroxy-3-methoxyphenyl), bis-TMS

• 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	0.7266		Relay (... Calculated Property
ΔfG°	-141.05	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-746.84	kJ/mol	Relay (... Calculated Property
ΔvapH°	74.08	kJ/mol	Relay (... Calculated Property
IE	8.28	eV	Relay (... Calculated Property
log10WS	-3.36		Relay (... Calculated Property
logPoct/wat	4.693		Crippen Calculated Property
Pc	985.76	kPa	Relay (... Calculated Property ⚠️
Inp	[1813.00; 1813.00]
Inp	1813.00		NIST
Inp	1813.00		NIST
Tboil	593.36	K	Relay (... Calculated Property
Tc	763.83	K	Relay (... Calculated Property
Tfus	297.70	K	Relay (... Calculated Property
Vc	1.068	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3-Vanilpropanol, bis(trimethylsilyl)-.

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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