Chemical Properties of 2-Furanone, 2,5-dihydro-3,5-dimethyl

InChI

InChI=1S/C6H8O2/c1-4-3-5(2)8-6(4)7/h3,5H,1-2H3

InChI Key

SAXRUMLUKZBSTO-UHFFFAOYSA-N

Formula

C6H8O2

SMILES

CC1=CC(C)OC1=O

Molecular Weight¹

112.13

Other Names

• 3,5-Dimethyl-2(5H)-furanone

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.63	kJ/mol	Joback Calculated Property
logPoct/wat	0.878		Crippen Calculated Property
McVol	87.680	ml/mol	McGowan Calculated Property
Inp	[993.00; 993.00]
Inp	993.00		NIST
Inp	993.00		NIST
I	[1631.00; 1640.00]
I	1631.00		NIST
I	1637.00		NIST
I	1639.00		NIST
I	1639.00		NIST
I	1640.00		NIST
I	1631.00		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, Ionization energy, 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	[121.74; 282.38]	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			-5.32000e+00
Coefficient B			5.54440e-01
Coefficient C			-3.48440e-04
Coefficient D			8.17000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	121.74	J/mol×K	273.00	Calculated Property
Cp,gas	150.84	J/mol×K	353.78	Calculated Property
Cp,gas	176.52	J/mol×K	434.56	Calculated Property
Cp,gas	199.05	J/mol×K	515.33	Calculated Property
Cp,gas	218.68	J/mol×K	596.11	Calculated Property
Cp,gas	235.66	J/mol×K	676.89	Calculated Property
Cp,gas	250.27	J/mol×K	757.67	Calculated Property
Cp,gas	262.75	J/mol×K	838.44	Calculated Property
Cp,gas	273.37	J/mol×K	919.22	Calculated Property
Cp,gas	282.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010946; 0.0003399]	Pa×s	[230.93; 418.66]	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			-9.42536e+00
Coefficient B			6.02260e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			230.93
Temperature range, max.			418.66
η	0.0010946	Pa×s	230.93	Calculated Property
η	0.0008819	Pa×s	251.79	Calculated Property
η	0.0007344	Pa×s	272.65	Calculated Property
η	0.0006277	Pa×s	293.51	Calculated Property
η	0.0005478	Pa×s	314.37	Calculated Property
η	0.0004863	Pa×s	335.23	Calculated Property
η	0.0004377	Pa×s	356.09	Calculated Property
η	0.0003986	Pa×s	376.94	Calculated Property
η	0.0003665	Pa×s	397.80	Calculated Property
η	0.0003399	Pa×s	418.66	Calculated Property

Similar Compounds

Find more compounds similar to 2-Furanone, 2,5-dihydro-3,5-dimethyl.

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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