Chemical Properties of 2(5H)-FURANONE, 5-(1-METHYLETHYL)-

InChI

InChI=1S/C7H10O2/c1-5(2)6-3-4-7(8)9-6/h3-6H,1-2H3

InChI Key

LWFKYUIZWLTJCA-UHFFFAOYSA-N

Formula

C7H10O2

SMILES

CC(C)C1C=CC(=O)O1

Molecular Weight¹

126.15

Other Names

• 5-Isopropyl-5H-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_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.09	kJ/mol	Joback Calculated Property
IE	10.30	eV	Relay (1.0) Calculated Property
logPoct/wat	1.124		Crippen Calculated Property
McVol	101.770	ml/mol	McGowan Calculated Property
Inp	[1311.00; 1311.00]
Inp	1311.00		NIST
Inp	1311.00		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	[140.08; 337.55]	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			-2.22100e+01
Coefficient B			7.14840e-01
Coefficient C			-4.73080e-04
Coefficient D			1.18000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	140.08	J/mol×K	273.00	Calculated Property
Cp,gas	176.70	J/mol×K	353.78	Calculated Property
Cp,gas	208.78	J/mol×K	434.56	Calculated Property
Cp,gas	236.68	J/mol×K	515.33	Calculated Property
Cp,gas	260.80	J/mol×K	596.11	Calculated Property
Cp,gas	281.50	J/mol×K	676.89	Calculated Property
Cp,gas	299.15	J/mol×K	757.67	Calculated Property
Cp,gas	314.12	J/mol×K	838.44	Calculated Property
Cp,gas	326.80	J/mol×K	919.22	Calculated Property
Cp,gas	337.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022984; 0.0003650]	Pa×s	[214.68; 431.87]	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			-9.73449e+00
Coefficient B			7.85500e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			214.68
Temperature range, max.			431.87
η	0.0022984	Pa×s	214.68	Calculated Property
η	0.0015880	Pa×s	238.81	Calculated Property
η	0.0011742	Pa×s	262.94	Calculated Property
η	0.0009135	Pa×s	287.08	Calculated Property
η	0.0007388	Pa×s	311.21	Calculated Property
η	0.0006161	Pa×s	335.34	Calculated Property
η	0.0005265	Pa×s	359.47	Calculated Property
η	0.0004588	Pa×s	383.60	Calculated Property
η	0.0004065	Pa×s	407.74	Calculated Property
η	0.0003650	Pa×s	431.87	Calculated Property

Similar Compounds

Find more compounds similar to 2(5H)-FURANONE, 5-(1-METHYLETHYL)-.

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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