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

InChI

InChI=1S/C33H54O5Si2/c1-12-19-26-22-30(35-10)32(31(23-26)36-11)25(8)33(38-40(16-5,17-6)18-7)27-20-21-28(34-9)29(24-27)37-39(13-2,14-3)15-4/h12,20-25,33H,1,13-19H2,2-11H3

InChI Key

QFDDEWACQPZBSP-UHFFFAOYSA-N

Formula

C33H54O5Si2

SMILES

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

Molecular Weight¹

586.95

• 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	1.1196		Relay (... Calculated Property
ΔfG°	-98.95	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-978.89	kJ/mol	Relay (... Calculated Property
ΔvapH°	124.62	kJ/mol	Relay (... Calculated Property
IE	7.08	eV	Relay (... Calculated Property
log10WS	-5.60		Relay (... Calculated Property
logPoct/wat	9.691		Crippen Calculated Property
Pc	205.46	kPa	Relay (... Calculated Property ⚠️
Inp	[3310.00; 3310.00]
Inp	3310.00		NIST
Inp	3310.00		NIST
Tboil	764.70	K	Relay (... Calculated Property
Tc	989.16	K	Relay (... Calculated Property
Tfus	398.66	K	Relay (... Calculated Property
Vc	1.757	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, 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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