Chemical Properties of 3-Furoic acid, (3-cyanopropyl)dimethylsilyl ester

InChI

InChI=1S/C11H15NO3Si/c1-16(2,8-4-3-6-12)15-11(13)10-5-7-14-9-10/h5,7,9H,3-4,8H2,1-2H3

InChI Key

UOFZILLICWBZPT-UHFFFAOYSA-N

Formula

C11H15NO3Si

SMILES

C[Si](C)(CCCC#N)OC(=O)c1ccoc1

Molecular Weight¹

237.33

• 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	0.6798		Relay (1.0) Calculated Property
ΔfG°	-99.95	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-411.89	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	74.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
log10WS	-2.55		Relay (1.0) Calculated Property
logPoct/wat	2.945		Crippen Calculated Property
Pc	1896.31	kPa	Relay (1.0-beta) Calculated Property
Inp	[1633.00; 1633.00]
Inp	1633.00		NIST
Inp	1633.00		NIST
Tboil	568.26	K	Relay (1.0) Calculated Property
Tc	780.53	K	Relay (1.0) Calculated Property
Tfus	293.27	K	Relay (1.0) Calculated Property
Vc	0.691	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-Furoic acid, (3-cyanopropyl)dimethylsilyl 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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