Chemical Properties of Homofuraneol

Homofuraneol

InChI
InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3
InChI Key
GWCRPYGYVRXVLI-UHFFFAOYSA-N
Formula
C7H10O3
SMILES
CCC1OC(C)=C(O)C1=O
Molecular Weight1
142.15
Other Names
  • 2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone
  • 3(2H)-Furanone, 2-ethyl-4-hydroxy-5-methyl-
  • 2-ethyl-4-hydroxy-5-methyl-3(2H)-furanone (homofuraneol)
  • 4-hydroxy-2-ethyl-5methyl-3(2H)-furanone
  • 4-Hydroxy-2-ethyl-5-methyl-3(2H)-furanone (HEMF)
  • 4-hydroxy-2- or 5-ethyl-5- and 2-methyl-3(2H)-furanone
  • 2(or 5)-ethyl-4-hydroxy-5(or 2)-methyl- 3(2H)-furanone (Homofuraneol)
  • 2-ethyl-4-hydroxy-5-methyl-(2 H)-furanone (homofuraneol)
  • ethyl 4-hydroxy-5-methyl-3(2H)-furanone (homofuraneol)
  • 2-ethyl-4-hydroxy-5-methylfuran-3(2H)-one
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Physical Properties

Property Value Unit Source
ΔfusH° 19.84 kJ/mol Joback Calculated Property
logPoct/wat 1.154 Crippen Calculated Property
McVol 107.640 ml/mol McGowan Calculated Property
Inp [1072.00; 1178.00]   Show Hide
Inp 1104.00 NIST
Inp 1104.00 NIST
Inp Outlier 1072.00 NIST
Inp 1135.00 NIST
Inp 1146.00 NIST
Inp 1142.00 NIST
Inp 1145.00 NIST
Inp 1139.00 NIST
Inp 1136.00 NIST
Inp 1139.00 NIST
Inp 1178.00 NIST
Inp 1128.00 NIST
Inp 1140.00 NIST
Inp 1159.00 NIST
Inp 1175.00 NIST
Inp 1175.00 NIST
Inp 1175.00 NIST
Inp 1175.00 NIST
Inp 1175.00 NIST
Inp 1135.00 NIST
Inp 1140.00 NIST
Inp 1104.00 NIST
Ip [2045.00; 2112.00]   Show Hide
Ip 2083.00 NIST
Ip 2083.00 NIST
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Ip Outlier 2045.00 NIST
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Ip 2078.00 NIST
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Ip Outlier 2050.00 NIST
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Ip 2095.00 NIST
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Ip 2107.00 NIST
Ip 2111.00 NIST
Ip 2105.00 NIST
Ip 2083.00 NIST
Tfus 330.55 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 [155.61; 363.70] 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 A3.14610e+01
Coefficient B4.88240e-01
Coefficient C-1.10100e-04
Coefficient D-4.59000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 155.61 J/mol×K 273.00 Calculated Property
Cp,gas 188.38 J/mol×K 353.78 Calculated Property
Cp,gas 219.07 J/mol×K 434.56 Calculated Property
Cp,gas 247.55 J/mol×K 515.33 Calculated Property
Cp,gas 273.66 J/mol×K 596.11 Calculated Property
Cp,gas 297.26 J/mol×K 676.89 Calculated Property
Cp,gas 318.22 J/mol×K 757.67 Calculated Property
Cp,gas 336.37 J/mol×K 838.44 Calculated Property
Cp,gas 351.58 J/mol×K 919.22 Calculated Property
Cp,gas 363.70 J/mol×K 1000.00 Calculated Property

Similar Compounds

5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone, acetate. 2-Ethyl-5-methyl-4-[(trimethylsilyl)oxy]furan-3(2H)-one. 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone. Furaneol. 2,5-Dimethyl-4-butoxy-3(2H)furanone. 2,5-Dimethyl-4-(3-hexenoyl)-3(3H)furanone. 5-Ethyl-2-methyl-4-[(trimethylsilyl)oxy]furan-3(2H)-one. 2,5-dimethyl-4-(3-methylbutoxy)-3(2H)furanone. 2,3-dihydro-2-decyl-5-methylfuran-3-one. 3(2H)-FURANONE, 5-METHYL-2-OCTYL-. 3(2H)-Furanone, 2-hexyl-5-methyl-. Furaneol, «beta»-D-glucopyranoside, TFA. Griseofulvin. Supinine, diTMS. Cineroctine.

Find more compounds similar to Homofuraneol.

Sources

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