Chemical Properties of 3-(5'-hydroxymethyl-2'-furyl)-2-phenyl-2-propenal

InChI

InChI=1S/C14H12O3/c15-9-12(11-4-2-1-3-5-11)8-13-6-7-14(10-16)17-13/h1-9,16H,10H2/b12-8-

InChI Key

AYPZCVFZHFIVCL-WQLSENKSSA-N

Formula

C14H12O3

SMILES

O=CC(=Cc1ccc(CO)o1)c1ccccc1

Molecular Weight¹

228.24

• 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	0.7592		Relay (1.0) Calculated Property
ΔfG°	-61.30	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-206.88	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	103.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.23	eV	Relay (1.0) Calculated Property
log10WS	-2.66		Relay (1.0) Calculated Property
logPoct/wat	2.511		Crippen Calculated Property
McVol	173.910	ml/mol	McGowan Calculated Property
Pc	3477.49	kPa	Relay (1.0-beta) Calculated Property
Inp	[1965.00; 1965.00]
Inp	1965.00		NIST
Inp	1965.00		NIST
Tboil	630.26	K	Relay (1.0) Calculated Property
Tc	912.39	K	Relay (1.0) Calculated Property
Tfus	387.35	K	Relay (1.0) Calculated Property
Vc	0.627	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-(5'-hydroxymethyl-2'-furyl)-2-phenyl-2-propenal.

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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