Chemical Properties of 4-(7-Ethyl-3-methyl-5-propenyl-2,3-dihydro-benzofuran-2-yl)-2,6-dimethoxy-phenol, TPS

InChI

InChI=1S/C31H46O4Si/c1-9-14-23-18-24(13-5)30-26(19-23)22(6)29(34-30)25-20-27(32-7)31(28(21-25)33-8)35-36(15-10-2,16-11-3)17-12-4/h9,14,18-22,29H,10-13,15-17H2,1-8H3/b14-9+

InChI Key

PVTBKJSNXPTPSZ-NTEUORMPSA-N

Formula

C31H46O4Si

SMILES

CC=Cc1cc(CC)c2c(c1)C(C)C(c1cc(OC)c(O[Si](CCC)(CCC)CCC)c(OC)c1)O2

Molecular Weight¹

510.78

• 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	1.0742		Relay (1.0) Calculated Property
ΔfG°	-26.80	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-651.55	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	121.67	kJ/mol	Relay (1.0) Calculated Property
IE	7.02	eV	Relay (1.0) Calculated Property
log10WS	-7.39		Relay (1.0) Calculated Property
logPoct/wat	9.091		Crippen Calculated Property
Pc	141.55	kPa	Relay (1.0-beta) Calculated Property
Inp	[3310.00; 3310.00]
Inp	3310.00		NIST
Inp	3310.00		NIST
Tboil	735.35	K	Relay (1.0) Calculated Property
Tc	1000.74	K	Relay (1.0) Calculated Property
Tfus	399.73	K	Relay (1.0) Calculated Property
Vc	1.551	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 4-(7-Ethyl-3-methyl-5-propenyl-2,3-dihydro-benzofuran-2-yl)-2,6-dimethoxy-phenol, TPS.

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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