Chemical Properties of 1H-Imidazole, 2-(diethoxymethyl)- (CAS 13750-84-0)

InChI

InChI=1S/C8H14N2O2/c1-3-11-8(12-4-2)7-9-5-6-10-7/h5-6,8H,3-4H2,1-2H3,(H,9,10)

InChI Key

GDYWVVQIJJWUFA-UHFFFAOYSA-N

Formula

C8H14N2O2

SMILES

CCOC(OCC)c1ncc[nH]1

Molecular Weight¹

170.21

CAS

13750-84-0

Other Names

• Imidazole-2-carboxaldehyde, diethyl acetal
• 2-(1,1-Diethoxymethyl)imidazole

• 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.
• McVol : McGowan's characteristic volume (ml/mol).
• 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	0.4956		Relay (1.0) Calculated Property
ΔfG°	-12.64	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-287.85	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	68.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	-0.34		Relay (1.0) Calculated Property
logPoct/wat	0.999		Crippen Calculated Property
McVol	135.820	ml/mol	McGowan Calculated Property
Pc	3019.50	kPa	Relay (1.0-beta) Calculated Property
Inp	[1091.00; 1091.00]
Inp	1091.00		NIST
Inp	1091.00		NIST
Tboil	541.98	K	Relay (1.0) Calculated Property
Tc	712.26	K	Relay (1.0) Calculated Property
Tfus	320.98	K	Relay (1.0) Calculated Property
Vc	0.514	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1H-Imidazole, 2-(diethoxymethyl)-.

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
• McGowan Method
• NIST Webbook

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