Chemical Properties of 2,3-Dimethyl-4-hydroxy-2-butenoic lactone (CAS 1575-46-8)

InChI

InChI=1S/C6H8O2/c1-4-3-8-6(7)5(4)2/h3H2,1-2H3

InChI Key

QHQDWCHELGHSTO-UHFFFAOYSA-N

Formula

C6H8O2

SMILES

CC1=C(C)C(=O)OC1

Molecular Weight¹

112.13

CAS

1575-46-8

Other Names

• 3,4-Dimethyl-2-butenolide
• 3,4-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 : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.17	kJ/mol	Joback Calculated Property
logPoct/wat	0.880		Crippen Calculated Property
McVol	87.680	ml/mol	McGowan Calculated Property
I	[1844.00; 1862.00]
I	1860.00		NIST
I	1861.00		NIST
I	1862.00		NIST
I	1844.00		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	[122.02; 272.68]	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			3.04000e+00
Coefficient B			5.21440e-01
Coefficient C			-3.36800e-04
Coefficient D			8.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	122.02	J/mol×K	273.00	Calculated Property
Cp,gas	149.12	J/mol×K	353.78	Calculated Property
Cp,gas	173.01	J/mol×K	434.56	Calculated Property
Cp,gas	193.94	J/mol×K	515.33	Calculated Property
Cp,gas	212.20	J/mol×K	596.11	Calculated Property
Cp,gas	228.04	J/mol×K	676.89	Calculated Property
Cp,gas	241.75	J/mol×K	757.67	Calculated Property
Cp,gas	253.57	J/mol×K	838.44	Calculated Property
Cp,gas	263.79	J/mol×K	919.22	Calculated Property
Cp,gas	272.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013125; 0.0003392]	Pa×s	[247.69; 426.80]	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			-9.86036e+00
Coefficient B			7.98690e+02
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.			247.69
Temperature range, max.			426.80
η	0.0013125	Pa×s	247.69	Calculated Property
η	0.0010327	Pa×s	267.59	Calculated Property
η	0.0008399	Pa×s	287.49	Calculated Property
η	0.0007016	Pa×s	307.39	Calculated Property
η	0.0005991	Pa×s	327.30	Calculated Property
η	0.0005209	Pa×s	347.20	Calculated Property
η	0.0004598	Pa×s	367.10	Calculated Property
η	0.0004111	Pa×s	387.00	Calculated Property
η	0.0003717	Pa×s	406.90	Calculated Property
η	0.0003392	Pa×s	426.80	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Dimethyl-4-hydroxy-2-butenoic lactone.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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