Chemical Properties of 3(2H)-Furanone, 4-methoxy-2,5-dimethyl- (CAS 4077-47-8)

3(2H)-Furanone, 4-methoxy-2,5-dimethyl-

InChI
InChI=1S/C7H10O3/c1-4-6(8)7(9-3)5(2)10-4/h4H,1-3H3
InChI Key
SIMKGHMLPVDSJE-UHFFFAOYSA-N
Formula
C7H10O3
SMILES
COC1=C(C)OC(C)C1=O
Molecular Weight1
142.15
CAS
4077-47-8
Other Names
  • 2,5-Dimethyl-4-methoxy-3(2H)-furanone
  • 2,5-Dimethyl-4-methoxy-2,3-dihydro-3-furanone
  • 2,5-Dimethyl 4-methoxy furan-3-one
  • 3(2H)-Furanone, 2,5-dimethyl-4-methoxy
  • Mesifuran
  • Mesifurane
  • 4-Methoxy-2,5-dimethyl-3(2H)-furanone
  • 4-methoxy-2,5-dimethylfuran-3(2H)-one
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Physical Properties

Property Value Unit Source
ΔfusH° 16.94 kJ/mol Joback Calculated Property
logPoct/wat 0.852 Crippen Calculated Property
McVol 107.640 ml/mol McGowan Calculated Property
Inp [1027.00; 1065.00]   Show Hide
Inp 1065.00 NIST
Inp 1065.00 NIST
Inp 1064.00 NIST
Inp 1027.00 NIST
Inp 1057.00 NIST
Inp 1056.00 NIST
Inp 1057.00 NIST
Inp 1051.00 NIST
Inp 1031.00 NIST
Inp 1031.00 NIST
Inp 1032.00 NIST
Inp 1055.00 NIST
I [1554.00; 1625.00]   Show Hide
I 1584.00 NIST
I 1602.00 NIST
I 1580.00 NIST
I 1600.00 NIST
I 1556.00 NIST
I 1584.00 NIST
I 1561.00 NIST
I 1580.00 NIST
I 1604.00 NIST
I 1576.00 NIST
I Outlier 1625.00 NIST
I 1554.00 NIST
I 1578.00 NIST
I 1604.00 NIST
I 1561.00 NIST
Tfus 317.24 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [158.51; 363.53] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.16700e+01
Coefficient B3.91060e-01
Coefficient C3.13000e-05
Coefficient D-1.10500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 158.51 J/mol×K 273.00 Calculated Property
Cp,gas 189.04 J/mol×K 353.78 Calculated Property
Cp,gas 218.45 J/mol×K 434.56 Calculated Property
Cp,gas 246.39 J/mol×K 515.33 Calculated Property
Cp,gas 272.50 J/mol×K 596.11 Calculated Property
Cp,gas 296.45 J/mol×K 676.89 Calculated Property
Cp,gas 317.87 J/mol×K 757.67 Calculated Property
Cp,gas 336.43 J/mol×K 838.44 Calculated Property
Cp,gas 351.76 J/mol×K 919.22 Calculated Property
Cp,gas 363.53 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,5-Dimethyl-4-ethoxy-3(2H)furanone. 4-acetoxy-2,5-dimethyl-3(2H)-furanone. 2,5-Dimethyl-4-butoxy-3(2H)furanone. Furaneol. 2,5-Dimethyl-4-(3-hexenoyl)-3(3H)furanone. 2,5-dimethyl-4-(3-methylbutoxy)-3(2H)furanone. 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone. 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone, acetate. 5-Ethyl-2-methyl-4-[(trimethylsilyl)oxy]furan-3(2H)-one. Homofuraneol. 2-Ethyl-5-methyl-4-[(trimethylsilyl)oxy]furan-3(2H)-one. Furaneol, «beta»-D-glucopyranoside, TFA. 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-. Griseofulvin. 5-Hydroxy-4-methoxy-6-phenethyl-5,6-dihydro-2H-pyran-2-one.

Find more compounds similar to 3(2H)-Furanone, 4-methoxy-2,5-dimethyl-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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