Chemical Properties of 3-hydroxy-5-ethyl-4-methyl-3(2H)-furanone

InChI

InChI=1S/C7H10O3/c1-3-5-4(2)6(8)7(9)10-5/h6,8H,3H2,1-2H3

InChI Key

ZZWOFATXVNKRIR-UHFFFAOYSA-N

Formula

C7H10O3

SMILES

CCC1=C(C)C(O)C(=O)O1

Molecular Weight¹

142.15

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.92	kJ/mol	Joback Calculated Property
logPoct/wat	0.588		Crippen Calculated Property
McVol	107.640	ml/mol	McGowan Calculated Property
I	[2277.00; 2277.00]
I	2277.00		NIST
I	2277.00		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	[158.00; 349.60]	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			1.33610e+01
Coefficient B			6.23940e-01
Coefficient C			-3.66200e-04
Coefficient D			7.85000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.00	J/mol×K	273.00	Calculated Property
Cp,gas	191.74	J/mol×K	353.78	Calculated Property
Cp,gas	221.79	J/mol×K	434.56	Calculated Property
Cp,gas	248.39	J/mol×K	515.33	Calculated Property
Cp,gas	271.80	J/mol×K	596.11	Calculated Property
Cp,gas	292.26	J/mol×K	676.89	Calculated Property
Cp,gas	310.02	J/mol×K	757.67	Calculated Property
Cp,gas	325.33	J/mol×K	838.44	Calculated Property
Cp,gas	338.44	J/mol×K	919.22	Calculated Property
Cp,gas	349.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048161; 0.0003156]	Pa×s	[315.54; 495.84]	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			-1.28301e+01
Coefficient B			2.36475e+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.			315.54
Temperature range, max.			495.84
η	0.0048161	Pa×s	315.54	Calculated Property
η	0.0030789	Pa×s	335.57	Calculated Property
η	0.0020700	Pa×s	355.61	Calculated Property
η	0.0014520	Pa×s	375.64	Calculated Property
η	0.0010557	Pa×s	395.67	Calculated Property
η	0.0007915	Pa×s	415.71	Calculated Property
η	0.0006093	Pa×s	435.74	Calculated Property
η	0.0004800	Pa×s	455.77	Calculated Property
η	0.0003858	Pa×s	475.81	Calculated Property
η	0.0003156	Pa×s	495.84	Calculated Property

Similar Compounds

Find more compounds similar to 3-hydroxy-5-ethyl-4-methyl-3(2H)-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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