Chemical Properties of trans-2,3-Dimethoxycinnamic acid, benzyldimethylsilyl ester

InChI

InChI=1S/C20H24O4Si/c1-22-18-12-8-11-17(20(18)23-2)13-14-19(21)24-25(3,4)15-16-9-6-5-7-10-16/h5-14H,15H2,1-4H3/b14-13+

InChI Key

OPJQHQBXAQEMKA-BUHFOSPRSA-N

Formula

C20H24O4Si

SMILES

COc1cccc(C=CC(=O)O[Si](C)(C)Cc2ccccc2)c1OC

Molecular Weight¹

356.49

• 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	0.7924		Relay (1.0) Calculated Property
ΔfG°	-101.29	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-557.49	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	105.07	kJ/mol	Relay (1.0) Calculated Property
IE	8.13	eV	Relay (1.0) Calculated Property
log10WS	-4.00		Relay (1.0) Calculated Property
logPoct/wat	4.247		Crippen Calculated Property
Pc	1236.28	kPa	Relay (1.0-beta) Calculated Property
Inp	[2601.00; 2601.00]
Inp	2601.00		NIST
Inp	2601.00		NIST
Tboil	659.59	K	Relay (1.0) Calculated Property
Tc	898.11	K	Relay (1.0) Calculated Property
Tfus	354.63	K	Relay (1.0) Calculated Property
Vc	1.018	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to trans-2,3-Dimethoxycinnamic acid, benzyldimethylsilyl ester.

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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