Chemical Properties of 2-Furanacetaldehyde, «alpha»-methyl-«alpha»-vinyl- (CAS 31776-28-0)

InChI

InChI=1S/C9H10O2/c1-3-9(2,7-10)8-5-4-6-11-8/h3-7H,1H2,2H3

InChI Key

PLLOKKQQTSGSSC-UHFFFAOYSA-N

Formula

C9H10O2

SMILES

C=CC(C)(C=O)c1ccco1

Molecular Weight¹

150.17

CAS

31776-28-0

Other Names

• 2-(2-Furyl)-2-methyl-3-butenal
• «alpha»-Methyl-«alpha»-vinyl-2-furanacetaldehyde

• 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 : 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	0.3396		Relay (1.0) Calculated Property
ΔfG°	13.41	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-100.73	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	47.98	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-1.68		Relay (1.0) Calculated Property
logPoct/wat	1.922		Crippen Calculated Property
McVol	121.350	ml/mol	McGowan Calculated Property
Pc	3277.78	kPa	Relay (1.0-beta) Calculated Property
I	[1837.00; 1837.00]
I	1837.00		NIST
I	1837.00		NIST
Tboil	458.74	K	Relay (1.0) Calculated Property
Tc	681.64	K	Relay (1.0) Calculated Property
Tfus	277.35	K	Relay (1.0) Calculated Property
Vc	0.436	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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

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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