Chemical Properties of 5-Methylene-2(5H)-furanone (Protoanemonine)

InChI

InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2

InChI Key

RNYZJZKPGHQTJR-UHFFFAOYSA-N

Formula

C5H4O2

SMILES

C=C1C=CC(=O)O1

Molecular Weight¹

96.08

• 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_np : Non-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
ΔfusH°	10.20	kJ/mol	Joback Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
logPoct/wat	0.613		Crippen Calculated Property
McVol	69.290	ml/mol	McGowan Calculated Property
Inp	[880.00; 880.00]
Inp	880.00		NIST
Inp	880.00		NIST
Tboil	429.74	K	Relay (1.0) Calculated Property
Tfus	257.23	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[92.21; 195.26]	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			-2.36000e+00
Coefficient B			4.27900e-01
Coefficient C			-3.24080e-04
Coefficient D			9.38000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	92.21	J/mol×K	273.00	Calculated Property
Cp,gas	112.61	J/mol×K	353.78	Calculated Property
Cp,gas	130.08	J/mol×K	434.56	Calculated Property
Cp,gas	144.92	J/mol×K	515.33	Calculated Property
Cp,gas	157.42	J/mol×K	596.11	Calculated Property
Cp,gas	167.89	J/mol×K	676.89	Calculated Property
Cp,gas	176.60	J/mol×K	757.67	Calculated Property
Cp,gas	183.87	J/mol×K	838.44	Calculated Property
Cp,gas	189.99	J/mol×K	919.22	Calculated Property
Cp,gas	195.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012004; 0.0003318]	Pa×s	[225.06; 403.37]	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			-9.63377e+00
Coefficient B			6.54630e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			225.06
Temperature range, max.			403.37
η	0.0012004	Pa×s	225.06	Calculated Property
η	0.0009487	Pa×s	244.87	Calculated Property
η	0.0007767	Pa×s	264.68	Calculated Property
η	0.0006538	Pa×s	284.50	Calculated Property
η	0.0005628	Pa×s	304.31	Calculated Property
η	0.0004935	Pa×s	324.12	Calculated Property
η	0.0004393	Pa×s	343.93	Calculated Property
η	0.0003960	Pa×s	363.75	Calculated Property
η	0.0003609	Pa×s	383.56	Calculated Property
η	0.0003318	Pa×s	403.37	Calculated Property

Similar Compounds

Find more compounds similar to 5-Methylene-2(5H)-furanone (Protoanemonine).

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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