Chemical Properties of Furan-2(5H)-one, 3-hydroxy-4,5-dimethyl-

Furan-2(5H)-one, 3-hydroxy-4,5-dimethyl-

InChI
InChI=1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3
InChI Key
UNYNVICDCJHOPO-UHFFFAOYSA-N
Formula
C6H8O3
SMILES
CC1=C(O)C(=O)OC1C
Molecular Weight1
128.13
Other Names
  • Sotolone
  • 4,5-Dimethyl-3-hydroxy-2(5H)-furanone
  • 3-Hydroxy-4,5-dimethyl-2(5H)-furanone
  • Sotolon
  • 3-Hydroxy-4,5-dimethyl-5H-furan-2-one
  • 3-Hydroxy-4,5-dimethylfuran-2(5H)-one
  • 4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one
  • 2,3-Dimethyl-4-hydroxy-2,5-dihydrofuran-5-one
  • 3-hydroxy-4,5-dimethyl-2(5H)-furanone (sotolon)
  • 4,5-dimethyl-3-hydroxy-2-(5H)-furanone (sotolon)
  • 3-hydroxy-4,5-dimethylfuran-2( 5H)-one (sotolon)
  • 4,5-dimethyl-3-hydroxy-2,5-dihydrofuran-2-one (sotolon)
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Physical Properties

Property Value Unit Source
ΔfusH° 18.33 kJ/mol Joback Calculated Property
logPoct/wat 0.764 Crippen Calculated Property
McVol 93.550 ml/mol McGowan Calculated Property
Inp [1063.00; 1131.00]   Show Hide
Inp 1105.00 NIST
Inp 1108.00 NIST
Inp 1082.00 NIST
Inp 1116.00 NIST
Inp 1120.00 NIST
Inp 1099.00 NIST
Inp 1127.00 NIST
Inp 1118.00 NIST
Inp 1108.00 NIST
Inp 1108.00 NIST
Inp 1120.00 NIST
Inp 1108.00 NIST
Inp 1113.00 NIST
Inp 1111.00 NIST
Inp 1107.00 NIST
Inp 1118.00 NIST
Inp 1112.00 NIST
Inp 1110.00 NIST
Inp 1112.00 NIST
Inp 1131.00 NIST
Inp 1122.00 NIST
Inp 1110.00 NIST
Inp 1110.00 NIST
Inp 1104.00 NIST
Inp 1100.00 NIST
Inp 1110.00 NIST
Inp 1112.00 NIST
Inp 1112.00 NIST
Inp 1112.00 NIST
Inp 1082.00 NIST
Inp 1112.00 NIST
Inp 1109.00 NIST
Inp 1115.00 NIST
Inp 1116.00 NIST
Inp 1110.00 NIST
Inp 1110.00 NIST
Inp 1079.00 NIST
Inp 1127.00 NIST
Inp 1095.00 NIST
Inp 1107.00 NIST
Inp 1109.00 NIST
Inp 1081.00 NIST
Inp 1124.00 NIST
Inp Outlier 1063.00 NIST
Inp Outlier 1065.00 NIST
Inp Outlier 1068.00 NIST
Inp Outlier 1068.00 NIST
Inp 1114.00 NIST
Inp Outlier 1068.00 NIST
Inp 1110.00 NIST
Inp 1118.00 NIST
Inp 1120.00 NIST
Inp 1107.00 NIST
Inp 1110.00 NIST
Inp 1109.00 NIST
Inp 1110.00 NIST
Inp Outlier 1068.00 NIST
Inp Outlier 1068.00 NIST
Inp 1105.00 NIST
Inp 1110.00 NIST
Inp 1114.00 NIST
Inp 1110.00 NIST
Inp 1112.00 NIST
Inp 1114.00 NIST
Inp 1122.00 NIST
Inp 1110.00 NIST
Inp 1107.00 NIST
Inp 1109.00 NIST
Inp 1079.00 NIST
Inp 1081.00 NIST
Ip [2153.00; 2245.00]   Show Hide
Ip 2198.00 NIST
Ip 2191.00 NIST
Ip 2190.00 NIST
Ip 2190.00 NIST
Ip 2192.00 NIST
Ip 2210.00 NIST
Ip 2177.00 NIST
Ip 2210.00 NIST
Ip 2196.00 NIST
Ip 2203.00 NIST
Ip 2186.00 NIST
Ip 2208.00 NIST
Ip 2191.00 NIST
Ip 2203.00 NIST
Ip 2164.00 NIST
Ip 2181.00 NIST
Ip 2186.00 NIST
Ip 2204.00 NIST
Ip 2190.00 NIST
Ip 2205.00 NIST
Ip Outlier 2237.00 NIST
Ip 2193.00 NIST
Ip 2212.00 NIST
Ip 2220.00 NIST
Ip 2206.00 NIST
Ip 2193.00 NIST
Ip 2223.00 NIST
Ip 2211.00 NIST
Ip 2197.00 NIST
Ip 2196.00 NIST
Ip 2196.00 NIST
Ip 2196.00 NIST
Ip 2199.00 NIST
Ip 2170.00 NIST
Ip 2169.00 NIST
Ip 2227.00 NIST
Ip 2203.00 NIST
Ip 2194.00 NIST
Ip 2200.00 NIST
Ip 2194.00 NIST
Ip Outlier 2153.00 NIST
Ip Outlier 2153.00 NIST
Ip Outlier 2153.00 NIST
Ip 2203.00 NIST
Ip 2183.00 NIST
Ip Outlier 2153.00 NIST
Ip 2195.00 NIST
Ip 2194.00 NIST
Ip 2192.00 NIST
Ip 2235.00 NIST
Ip 2225.00 NIST
Ip Outlier 2243.00 NIST
Ip 2186.00 NIST
Ip 2186.00 NIST
Ip 2235.00 NIST
Ip 2204.00 NIST
Ip 2191.00 NIST
Ip 2225.00 NIST
Ip 2225.00 NIST
Ip 2206.00 NIST
Ip 2192.00 NIST
Ip 2185.00 NIST
Ip Outlier 2245.00 NIST
Ip 2193.00 NIST
Ip 2169.00 NIST
Ip 2205.00 NIST
Ip 2213.00 NIST
Ip 2190.00 NIST
Ip 2195.00 NIST
Ip 2213.00 NIST
Ip 2204.00 NIST
Ip 2213.00 NIST
Ip 2204.00 NIST
Ip 2193.00 NIST
Ip 2196.00 NIST
Ip 2217.00 NIST
Ip 2214.00 NIST
Ip 2172.00 NIST
Ip 2180.00 NIST
Ip 2196.00 NIST
Ip 2190.00 NIST
Ip 2213.00 NIST
Ip 2213.00 NIST
Ip 2181.00 NIST
Ip 2192.00 NIST
Ip 2235.00 NIST
Ip 2188.00 NIST
Ip Outlier 2239.00 NIST
Ip 2200.00 NIST
Ip 2192.00 NIST
Ip 2172.00 NIST
Ip 2182.00 NIST
Ip 2182.00 NIST
Ip 2192.00 NIST
Ip 2215.00 NIST
Ip 2192.00 NIST
Ip 2200.00 NIST
Ip Outlier 2237.00 NIST
Ip 2193.00 NIST
Ip 2196.00 NIST
Ip 2227.00 NIST
Ip Outlier 2153.00 NIST
Ip 2213.00 NIST
Ip 2214.00 NIST
Ip 2188.00 NIST
Ip 2182.00 NIST
Ip 2200.00 NIST
Ip 2198.00 NIST
Ip 2210.00 NIST
Ip 2186.00 NIST
Ip 2181.00 NIST
Tfus 370.73 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 [136.79; 298.01] 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 A1.42700e+01
Coefficient B5.28940e-01
Coefficient C-3.11800e-04
Coefficient D6.66000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 136.79 J/mol×K 273.00 Calculated Property
Cp,gas 165.32 J/mol×K 353.78 Calculated Property
Cp,gas 190.71 J/mol×K 434.56 Calculated Property
Cp,gas 213.16 J/mol×K 515.33 Calculated Property
Cp,gas 232.89 J/mol×K 596.11 Calculated Property
Cp,gas 250.10 J/mol×K 676.89 Calculated Property
Cp,gas 265.01 J/mol×K 757.67 Calculated Property
Cp,gas 277.82 J/mol×K 838.44 Calculated Property
Cp,gas 288.75 J/mol×K 919.22 Calculated Property
Cp,gas 298.01 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0051305; 0.0003301] Pa×s [304.27; 481.18] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.27350e+01
Coefficient B2.27059e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.304.27
Temperature range, max.481.18
η 0.0051305 Pa×s 304.27 Calculated Property
η 0.0032621 Pa×s 323.93 Calculated Property
η 0.0021844 Pa×s 343.58 Calculated Property
η 0.0015276 Pa×s 363.24 Calculated Property
η 0.0011083 Pa×s 382.90 Calculated Property
η 0.0008297 Pa×s 402.55 Calculated Property
η 0.0006381 Pa×s 422.21 Calculated Property
η 0.0005023 Pa×s 441.86 Calculated Property
η 0.0004036 Pa×s 461.52 Calculated Property
η 0.0003301 Pa×s 481.18 Calculated Property

Similar Compounds

2(5H)-Furanone, 5-ethyl-3-hydroxy-4-methyl-. 3,4,5-trimethyl-2[5H]-furanon. 2(5H)-Furanone, 4-methyl-5-(2-methyl-2-propenyl)-. Isogermafurenolide. 3,4-Dimethyl-5-pentyl-5H-furan-2-one. (6R,7aS)-3,6-Dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one. (6R,7aR)-3,6-Dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one. 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-. Sabinol, 3-methylbut-2-enoate. 8-epi-1,2-Dihydroartemisin. 6-«alpha»(H)-Santonin. Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3R-(3«alpha»,3a«beta»,5a«alpha»,9b«alpha»)]-. 6,11-«alpha»(H)-Santonin. «alpha»-Santonin. Jalcaguaianolide.

Find more compounds similar to Furan-2(5H)-one, 3-hydroxy-4,5-dimethyl-.

Sources

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