Chemical Properties of 2-(4-Allyl-2,6-dimethoxy-phenoxy)-1 -(3,4-dimethoxy-phenyl)-propan-1-ol, TES

InChI

InChI=1S/C28H42O6Si/c1-10-14-21-17-25(31-8)28(26(18-21)32-9)33-20(5)27(34-35(11-2,12-3)13-4)22-15-16-23(29-6)24(19-22)30-7/h10,15-20,27H,1,11-14H2,2-9H3

InChI Key

AIFKPZFNALYTIV-UHFFFAOYSA-N

Formula

C28H42O6Si

SMILES

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

Molecular Weight¹

502.71

• 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	1.0393		Relay (... Calculated Property
ΔfG°	-221.81	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-886.72	kJ/mol	Relay (... Calculated Property
ΔvapH°	118.50	kJ/mol	Relay (... Calculated Property
IE	7.31	eV	Relay (... Calculated Property
log10WS	-3.97		Relay (... Calculated Property
logPoct/wat	6.980		Crippen Calculated Property
Pc	475.78	kPa	Relay (... Calculated Property ⚠️
Inp	[2955.00; 2955.00]
Inp	2955.00		NIST
Inp	2955.00		NIST
Tboil	735.37	K	Relay (... Calculated Property
Tc	957.23	K	Relay (... Calculated Property
Tfus	402.99	K	Relay (... Calculated Property
Vc	1.446	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 2-(4-Allyl-2,6-dimethoxy-phenoxy)-1 -(3,4-dimethoxy-phenyl)-propan-1-ol, TES.

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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