Chemical Properties of 2-VINYLFURAN

InChI

InChI=1S/C6H6O/c1-2-6-4-3-5-7-6/h2-5H,1H2

InChI Key

QQBUHYQVKJQAOB-UHFFFAOYSA-N

Formula

C6H6O

SMILES

C=Cc1ccco1

Molecular Weight¹

94.11

Other Names

• 2-Ethenylfuran
• Furan, 2-ethenyl-
• Furylethylene

• ω : Acentric Factor.
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2933		Relay (1.0) Calculated Property
ΔfH°gas	28.00 ± 4.00	kJ/mol	NIST
ΔfH°liquid	-10.00 ± 3.00	kJ/mol	NIST
ΔvapH°	[38.00; 38.00]	kJ/mol
ΔvapH°	38.00 ± 1.00	kJ/mol	NIST
ΔvapH°	38.00	kJ/mol	NIST
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-1.12		Relay (1.0) Calculated Property
logPoct/wat	1.923		Crippen Calculated Property
McVol	77.510	ml/mol	McGowan Calculated Property
Pc	4618.21	kPa	Relay (1.0-beta) Calculated Property
Inp	[710.00; 765.00]
Inp	725.00		NIST
Inp	710.00		NIST
Inp	724.00		NIST
Inp	761.00		NIST
Inp	723.00		NIST
Inp	721.00		NIST
Inp	713.00		NIST
Inp	710.00		NIST
Inp	765.00		NIST
Inp	761.00		NIST
Ip	[1048.00; 1096.00]
Ip	1085.00		NIST
Ip	1075.00		NIST
Ip	1048.00		NIST
Ip	1051.00		NIST
Ip	1051.00		NIST
Ip	1053.00		NIST
Ip	1053.00		NIST
Ip	1054.00		NIST
Ip	1058.00		NIST
Ip	1090.00		NIST
Ip	1096.00		NIST
Ip	1075.00		NIST
Ip	1075.00		NIST
Ip	1063.00		NIST
Ip	1082.00		NIST
Ip	1085.00		NIST
Ip	1075.00		NIST
Ip	1058.00		NIST
Ip	1063.00		NIST
Ip	1051.00		NIST
Tboil	[372.00; 372.95]	K
Tboil	372.70	K	NIST
Tboil	372.95 ± 1.50	K	NIST
Tboil	372.00 ± 4.00	K	NIST
Tboil	372.65 ± 2.00	K	NIST
Tc	584.44	K	Relay (1.0) Calculated Property
Tfus	[179.15; 179.15]	K
Tfus	179.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	179.15 ± 4.00	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2-VINYLFURAN.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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