Chemical Properties of 1-Propanone, 1-(2-furanyl)- (CAS 3194-15-8)

InChI

InChI=1S/C7H8O2/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3

InChI Key

HCPORNAVHSWTOJ-UHFFFAOYSA-N

Formula

C7H8O2

SMILES

CCC(=O)c1ccco1

Molecular Weight¹

124.14

CAS

3194-15-8

Other Names

• 1-(2-Furanyl)-1-propanone
• 1-(2-Furanyl)-propanone
• 1-(2-furyl)-1-propanone
• 1-(2-furyl)propan-1-one
• 1-Furan-2-yl-propan-1-one
• 1-Propanone, 1-(2-furyl)-
• 2-Furyl ethyl ketone
• 2-Propionylfuran
• Ethyl 2-furyl ketone
• Ethyl furyl ketone
• Furyl ethyl ketone

• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-245.13	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	53.34	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-1.43		Relay (1.0) Calculated Property
logPoct/wat	1.872		Crippen Calculated Property
McVol	97.470	ml/mol	McGowan Calculated Property
Inp	[976.00; 1022.00]
Inp	984.00		NIST
Inp	987.00		NIST
Inp	1008.00		NIST
Inp	1019.00		NIST
Inp	988.00		NIST
Inp	983.00		NIST
Inp	1005.00		NIST
Inp	1016.00		NIST
Inp	1022.00		NIST
Inp	976.00		NIST
Inp	977.00		NIST
Inp	976.00		NIST
Inp	976.00		NIST
Inp	978.00		NIST
Inp	1008.00		NIST
Inp	1014.00		NIST
Inp	988.00		NIST
Inp	1007.00		NIST
Inp	1005.00		NIST
Inp	1016.00		NIST
Inp	988.00		NIST
Inp	1022.00		NIST
Inp	984.00		NIST
Inp	1008.00		NIST
Inp	1016.00		NIST
Inp	976.00		NIST
Inp	984.00		NIST
Ip	[1551.00; 1611.00]
Ip	1565.00		NIST
Ip	1551.00		NIST
Ip	1554.00		NIST
Ip	1567.00		NIST
Ip	1557.00		NIST
Ip	1571.00		NIST
Ip	1560.00		NIST
Ip	1561.00		NIST
Ip	1562.00		NIST
Ip	1562.00		NIST
Ip	1564.00		NIST
Ip	Outlier 1611.00		NIST
Ip	1560.00		NIST
Ip	1563.00		NIST
Ip	1565.00		NIST
Ip	1560.00		NIST
Ip	1563.00		NIST
Ip	1569.00		NIST
Ip	1563.00		NIST
Ip	1558.00		NIST
Ip	1571.00		NIST
Ip	1563.00		NIST
Ip	1560.00		NIST
Tboil	455.67	K	Relay (1.0) Calculated Property
Tfus	301.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Similar Compounds

Find more compounds similar to 1-Propanone, 1-(2-furanyl)-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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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