Chemical Properties of 5-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TMS

InChI

InChI=1S/C27H42O5Si2/c1-12-13-20-16-24(29-4)26(25(17-20)30-5)19(2)27(32-34(9,10)11)21-14-15-22(28-3)23(18-21)31-33(6,7)8/h12,14-19,27H,1,13H2,2-11H3

InChI Key

DGFPVOALBCRANZ-UHFFFAOYSA-N

Formula

C27H42O5Si2

SMILES

C=CCc1cc(OC)c(C(C)C(O[Si](C)(C)C)c2ccc(OC)c(O[Si](C)(C)C)c2)c(OC)c1

Molecular Weight¹

502.79

• 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	0.9574		Relay (... Calculated Property
ΔfG°	-126.95	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-903.84	kJ/mol	Relay (... Calculated Property
ΔvapH°	110.30	kJ/mol	Relay (... Calculated Property
IE	7.61	eV	Relay (... Calculated Property
log10WS	-4.88		Relay (... Calculated Property
logPoct/wat	7.351		Crippen Calculated Property
Pc	46.54	kPa	Relay (... Calculated Property ⚠️
Inp	[2710.00; 2710.00]
Inp	2710.00		NIST
Inp	2710.00		NIST
Tboil	710.36	K	Relay (... Calculated Property
Tc	922.29	K	Relay (... Calculated Property
Tfus	391.18	K	Relay (... Calculated Property
Vc	1.522	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 5-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TMS.

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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