Chemical Properties of Ethylvanilline, MO TMS

InChI

InChI=1S/C13H21NO3Si/c1-6-16-13-9-11(10-14-15-2)7-8-12(13)17-18(3,4)5/h7-10H,6H2,1-5H3/b14-10-

InChI Key

XLNPHAALBQSBFA-UVTDQMKNSA-N

Formula

C13H21NO3Si

SMILES

CCOc1cc(C=NOC)ccc1O[Si](C)(C)C

Molecular Weight¹

267.40

• 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	0.7151		Relay (1.0) Calculated Property
ΔfG°	-3.90	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-417.05	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	70.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.09	eV	Relay (1.0) Calculated Property
log10WS	-2.97		Relay (1.0) Calculated Property
logPoct/wat	3.279		Crippen Calculated Property
Pc	1438.25	kPa	Relay (1.0-beta) Calculated Property
Inp	[1675.00; 1675.00]
Inp	1675.00		NIST
Inp	1675.00		NIST
Tboil	577.26	K	Relay (1.0) Calculated Property
Tc	754.58	K	Relay (1.0) Calculated Property
Tfus	348.25	K	Relay (1.0) Calculated Property
Vc	0.803	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Ethylvanilline, MO TMS.

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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