Chemical Properties of Ethanone, 1,2-di-2-furanyl-2-hydroxy- (CAS 552-86-3)

InChI

InChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H

InChI Key

MIJRFWVFNKQQDK-UHFFFAOYSA-N

Formula

C10H8O4

SMILES

O=C(c1ccco1)C(O)c1ccco1

Molecular Weight¹

192.17

CAS

552-86-3

Other Names

• Furoin
• «alpha»-Furoin
• Ketone, 2-furyl «alpha»-hydroxyfurfuryl
• Ethanone, 1,2-di-2-furyl-2-hydroxy-
• 2,2'-furoin

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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	0.6816		Relay (... Calculated Property
ΔcH°solid	-4661.00	kJ/mol	NIST
ΔfG°	-270.60	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-380.55	kJ/mol	Relay (... Calculated Property
ΔvapH°	84.28	kJ/mol	Relay (... Calculated Property
IE	8.74	eV	Relay (... Calculated Property
log10WS	-1.51		Relay (... Calculated Property
logPoct/wat	1.789		Crippen Calculated Property
McVol	132.020	ml/mol	McGowan Calculated Property
Pc	3448.96	kPa	Relay (... Calculated Property ⚠️
Inp	[1449.00; 1449.00]
Inp	1449.00		NIST
Inp	1449.00		NIST
Tboil	558.06	K	Relay (... Calculated Property
Tc	824.86	K	Relay (... Calculated Property
Tfus	408.00 ± 3.00	K	NIST
Vc	0.531	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 1,2-di-2-furanyl-2-hydroxy-.

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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