Chemical Properties of 2-Furanacetaldehyde, «alpha»-propyl- (CAS 31681-26-2)

InChI

InChI=1S/C9H12O2/c1-2-4-8(7-10)9-5-3-6-11-9/h3,5-8H,2,4H2,1H3

InChI Key

VABVMGKHVDVOBI-UHFFFAOYSA-N

Formula

C9H12O2

SMILES

CCCC(C=O)c1ccco1

Molecular Weight¹

152.19

CAS

31681-26-2

Other Names

• 2-(2-Furyl)pentanal

• 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	0.4313		Relay (1.0) Calculated Property
ΔfG°	-54.71	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-231.40	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	51.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-1.49		Relay (1.0) Calculated Property
logPoct/wat	2.362		Crippen Calculated Property
McVol	125.650	ml/mol	McGowan Calculated Property
Pc	3168.35	kPa	Relay (1.0-beta) Calculated Property
Inp	[1076.00; 1076.00]
Inp	1076.00		NIST
Inp	1076.00		NIST
Tboil	473.84	K	Relay (1.0) Calculated Property
Tc	672.18	K	Relay (1.0) Calculated Property
Tfus	248.76	K	Relay (1.0) Calculated Property
Vc	0.462	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Furanacetaldehyde, «alpha»-propyl-.

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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