Chemical Properties of 5-ethyl-(3H)-furan-2-one (CAS 2313-01-1)

InChI

InChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h3H,2,4H2,1H3

InChI Key

WWAGWEFPCZVKGN-UHFFFAOYSA-N

Formula

C6H8O2

SMILES

CCC1=CCC(=O)O1

Molecular Weight¹

112.13

CAS

2313-01-1

Other Names

• 2(3H)-Furanone, 5-ethyl-
• 5-Ethyldihydro-(3H)-furan-2-one

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.56	kJ/mol	Joback Calculated Property
IE	9.60	eV	Relay (1.0) Calculated Property
logPoct/wat	1.227		Crippen Calculated Property
McVol	87.680	ml/mol	McGowan Calculated Property
I	[1684.00; 1697.00]
I	1684.00		NIST
I	1697.00		NIST
I	1684.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[119.47; 275.72]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.12590e+01
Coefficient B			5.80920e-01
Coefficient C			-4.03840e-04
Coefficient D			1.09900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	119.47	J/mol×K	273.00	Calculated Property
Cp,gas	148.58	J/mol×K	353.78	Calculated Property
Cp,gas	173.94	J/mol×K	434.56	Calculated Property
Cp,gas	195.90	J/mol×K	515.33	Calculated Property
Cp,gas	214.81	J/mol×K	596.11	Calculated Property
Cp,gas	231.01	J/mol×K	676.89	Calculated Property
Cp,gas	244.86	J/mol×K	757.67	Calculated Property
Cp,gas	256.69	J/mol×K	838.44	Calculated Property
Cp,gas	266.86	J/mol×K	919.22	Calculated Property
Cp,gas	275.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017640; 0.0003556]	Pa×s	[235.17; 422.28]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.95436e+00
Coefficient B			8.49950e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			235.17
Temperature range, max.			422.28
η	0.0017640	Pa×s	235.17	Calculated Property
η	0.0013153	Pa×s	255.96	Calculated Property
η	0.0010249	Pa×s	276.75	Calculated Property
η	0.0008269	Pa×s	297.54	Calculated Property
η	0.0006862	Pa×s	318.33	Calculated Property
η	0.0005826	Pa×s	339.12	Calculated Property
η	0.0005041	Pa×s	359.91	Calculated Property
η	0.0004431	Pa×s	380.70	Calculated Property
η	0.0003947	Pa×s	401.49	Calculated Property
η	0.0003556	Pa×s	422.28	Calculated Property

Similar Compounds

Find more compounds similar to 5-ethyl-(3H)-furan-2-one.

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
• Joback Method
• McGowan Method
• NIST Webbook

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