Chemical Properties of Benzofuran-2,3-dione, 2-[O-(2-hydroxyethyl)oxime], 3-(O-methyloxime), TMS, isomer 1

InChI

InChI=1S/C14H20N2O4Si/c1-17-15-13-11-7-5-6-8-12(11)20-14(13)16-18-9-10-19-21(2,3)4/h5-8H,9-10H2,1-4H3

InChI Key

TWWCBZQFGYXHHK-UHFFFAOYSA-N

Formula

C14H20N2O4Si

SMILES

CON=C1C(=NOCCO[Si](C)(C)C)Oc2ccccc21

Molecular Weight¹

308.41

• 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	0.8353		Relay (1.0) Calculated Property
ΔfG°	3.26	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-351.59	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	75.87	kJ/mol	Relay (1.0) Calculated Property
IE	8.14	eV	Relay (1.0) Calculated Property
log10WS	-2.84		Relay (1.0) Calculated Property
logPoct/wat	2.611		Crippen Calculated Property
Pc	1461.81	kPa	Relay (1.0-beta) Calculated Property
Inp	[1997.00; 2062.00]
Inp	2053.00		NIST
Inp	2062.00		NIST
Inp	1997.00		NIST
Inp	2000.00		NIST
Inp	2053.00		NIST
Tboil	611.72	K	Relay (1.0) Calculated Property
Tc	819.34	K	Relay (1.0) Calculated Property
Tfus	324.89	K	Relay (1.0) Calculated Property
Vc	0.875	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Benzofuran-2,3-dione, 2-[O-(2-hydroxyethyl)oxime], 3-(O-methyloxime), TMS, isomer 1.

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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