Chemical Properties of 2,5-Dimethyl-4-hydroxy-2(5H)-furanone

InChI

InChI=1S/C5H6O3/c1-3-4(6)2-5(7)8-3/h2-3,6H,1H3

InChI Key

JGAAAWQBYJNOIW-UHFFFAOYSA-N

Formula

C5H6O3

SMILES

CC1OC(=O)C=C1O

Molecular Weight¹

114.10

• 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_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	16.13	kJ/mol	Joback Calculated Property
logPoct/wat	0.374		Crippen Calculated Property
McVol	79.460	ml/mol	McGowan Calculated Property
Inp	[1062.00; 1062.00]
Inp	1062.00		NIST
Inp	1062.00		NIST
Ip	[2024.00; 2031.00]
Ip	2024.00		NIST
Ip	2031.00		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	[113.02; 249.46]	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			8.80000e-01
Coefficient B			4.93420e-01
Coefficient C			-3.24440e-04
Coefficient D			7.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	113.02	J/mol×K	273.00	Calculated Property
Cp,gas	138.36	J/mol×K	353.78	Calculated Property
Cp,gas	160.56	J/mol×K	434.56	Calculated Property
Cp,gas	179.89	J/mol×K	515.33	Calculated Property
Cp,gas	196.59	J/mol×K	596.11	Calculated Property
Cp,gas	210.91	J/mol×K	676.89	Calculated Property
Cp,gas	223.10	J/mol×K	757.67	Calculated Property
Cp,gas	233.43	J/mol×K	838.44	Calculated Property
Cp,gas	242.13	J/mol×K	919.22	Calculated Property
Cp,gas	249.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0082010; 0.0003611]	Pa×s	[280.48; 462.22]	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			-1.27459e+01
Coefficient B			2.22769e+03
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.			280.48
Temperature range, max.			462.22
η	0.0082010	Pa×s	280.48	Calculated Property
η	0.0048106	Pa×s	300.67	Calculated Property
η	0.0030179	Pa×s	320.87	Calculated Property
η	0.0020007	Pa×s	341.06	Calculated Property
η	0.0013887	Pa×s	361.25	Calculated Property
η	0.0010019	Pa×s	381.45	Calculated Property
η	0.0007470	Pa×s	401.64	Calculated Property
η	0.0005728	Pa×s	421.84	Calculated Property
η	0.0004500	Pa×s	442.03	Calculated Property
η	0.0003611	Pa×s	462.22	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dimethyl-4-hydroxy-2(5H)-furanone.

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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