Chemical Properties of 2-Furancarboxaldehyde, 5-[(5-methyl-2-furanyl)methyl]- (CAS 34995-74-9)

InChI

InChI=1S/C11H10O3/c1-8-2-3-9(13-8)6-10-4-5-11(7-12)14-10/h2-5,7H,6H2,1H3

InChI Key

KWIASFUDUPQEGZ-UHFFFAOYSA-N

Formula

C11H10O3

SMILES

Cc1ccc(Cc2ccc(C=O)o2)o1

Molecular Weight¹

190.20

CAS

34995-74-9

Other Names

• 2-(5-Methyl-2-furfuryl)-5-furfural

• 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	0.5721		Relay (1.0) Calculated Property
ΔfG°	-128.09	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-295.93	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	78.94	kJ/mol	Relay (1.0) Calculated Property
IE	8.54	eV	Relay (1.0) Calculated Property
log10WS	-2.33		Relay (1.0) Calculated Property
logPoct/wat	2.584		Crippen Calculated Property
McVol	140.240	ml/mol	McGowan Calculated Property
Pc	3468.05	kPa	Relay (1.0-beta) Calculated Property
Inp	1541.00		NIST
I	[2322.00; 2374.00]
I	2322.00		NIST
I	2374.00		NIST
I	2362.00		NIST
I	2363.00		NIST
I	2363.00		NIST
I	2362.00		NIST
I	2322.00		NIST
Tboil	564.50	K	Relay (1.0) Calculated Property
Tc	796.18	K	Relay (1.0) Calculated Property
Tfus	301.10	K	Relay (1.0) Calculated Property
Vc	0.565	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Furancarboxaldehyde, 5-[(5-methyl-2-furanyl)methyl]-.

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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