Chemical Properties of 2-Furaldehyde diethyl acetal (CAS 13529-27-6)

InChI

InChI=1S/C9H14O3/c1-3-10-9(11-4-2)8-6-5-7-12-8/h5-7,9H,3-4H2,1-2H3

InChI Key

SEILDMUKBMYIEZ-UHFFFAOYSA-N

Formula

C9H14O3

SMILES

CCOC(OCC)c1ccco1

Molecular Weight¹

170.21

CAS

13529-27-6

Other Names

• Furan, 2-(diethoxymethyl)-
• 2-(Diethoxymethyl)furan

• 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.
• I : 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	0.4609		Relay (1.0) Calculated Property
ΔfG°	-198.24	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-459.42	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	54.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-0.95		Relay (1.0) Calculated Property
logPoct/wat	2.351		Crippen Calculated Property
McVol	135.820	ml/mol	McGowan Calculated Property
Pc	2728.49	kPa	Relay (1.0-beta) Calculated Property
Inp	1078.00		NIST
I	[1442.00; 1456.00]
I	1456.00		NIST
I	1442.00		NIST
I	1453.00		NIST
I	1453.00		NIST
Tboil	[463.20; 464.70]	K
Tboil	463.20	K	NIST
Tboil	464.70	K	NIST
Tc	633.46	K	Relay (1.0) Calculated Property
Tfus	228.40	K	Relay (1.0) Calculated Property
Vc	0.523	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Furaldehyde diethyl acetal.

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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