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

• 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.
• 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	0.4272		Relay (... Calculated Property
ΔfG°	-134.75	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-245.13	kJ/mol	Relay (... Calculated Property
ΔvapH°	52.42	kJ/mol	Relay (... Calculated Property
IE	8.90	eV	Relay (... Calculated Property
log10WS	-1.43		Relay (... Calculated Property
logPoct/wat	1.872		Crippen Calculated Property
McVol	97.470	ml/mol	McGowan Calculated Property
Pc	3500.29	kPa	Relay (... 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	984.00		NIST
Inp	1008.00		NIST
Inp	1016.00		NIST
Inp	976.00		NIST
I	[1551.00; 1611.00]
I	1565.00		NIST
I	1551.00		NIST
I	1554.00		NIST
I	1567.00		NIST
I	1557.00		NIST
I	1571.00		NIST
I	1560.00		NIST
I	1561.00		NIST
I	1562.00		NIST
I	1562.00		NIST
I	1564.00		NIST
I	Outlier 1611.00		NIST
I	1560.00		NIST
I	1563.00		NIST
I	1565.00		NIST
I	1560.00		NIST
I	1563.00		NIST
I	1569.00		NIST
I	1563.00		NIST
I	1558.00		NIST
I	1571.00		NIST
I	1563.00		NIST
I	1560.00		NIST
Tboil	455.67	K	Relay (... Calculated Property
Tc	653.27	K	Relay (... Calculated Property
Tfus	299.32	K	Relay (... Calculated Property
Vc	0.378	m3/kmol	Relay (... Calculated Property

Similar Compounds

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

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

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.