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

InChI

InChI=1S/C33H54O6Si2/c1-11-18-26-21-28(24-34)33(31(22-26)36-10)37-25(8)32(39-41(15-5,16-6)17-7)27-19-20-29(30(23-27)35-9)38-40(12-2,13-3)14-4/h11,19-23,25,32,34H,1,12-18,24H2,2-10H3

InChI Key

USBWUVNPBVPEJF-UHFFFAOYSA-N

Formula

C33H54O6Si2

SMILES

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

Molecular Weight¹

602.95

• 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	1.3006		Relay (1.0) Calculated Property
ΔfG°	-251.95	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1142.70	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	140.74	kJ/mol	Relay (1.0) Calculated Property
IE	7.25	eV	Relay (1.0) Calculated Property
log10WS	-4.84		Relay (1.0) Calculated Property
logPoct/wat	8.839		Crippen Calculated Property
Pc	125.28	kPa	Relay (1.0-beta) Calculated Property
Inp	[3300.00; 3300.00]
Inp	3300.00		NIST
Inp	3300.00		NIST
Tboil	787.13	K	Relay (1.0) Calculated Property
Tc	1025.76	K	Relay (1.0) Calculated Property
Tfus	402.12	K	Relay (1.0) Calculated Property
Vc	1.780	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 4-[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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