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
  • Furan-2(5H)-one, 3-hydroxy-4,5-dimethyl-
  • 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)
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δfus 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
I [2153.00; 2245.00]   Show Hide
I 2198.00 NIST
I 2191.00 NIST
I 2190.00 NIST
I 2190.00 NIST
I 2192.00 NIST
I 2210.00 NIST
I 2177.00 NIST
I 2210.00 NIST
I 2196.00 NIST
I 2203.00 NIST
I 2186.00 NIST
I 2208.00 NIST
I 2191.00 NIST
I 2203.00 NIST
I 2164.00 NIST
I 2181.00 NIST
I 2186.00 NIST
I 2204.00 NIST
I 2190.00 NIST
I 2205.00 NIST
I Outlier 2237.00 NIST
I 2193.00 NIST
I 2212.00 NIST
I 2220.00 NIST
I 2206.00 NIST
I 2193.00 NIST
I 2223.00 NIST
I 2211.00 NIST
I 2197.00 NIST
I 2196.00 NIST
I 2196.00 NIST
I 2196.00 NIST
I 2199.00 NIST
I 2170.00 NIST
I 2169.00 NIST
I 2227.00 NIST
I 2203.00 NIST
I 2194.00 NIST
I 2200.00 NIST
I 2194.00 NIST
I Outlier 2153.00 NIST
I Outlier 2153.00 NIST
I Outlier 2153.00 NIST
I 2203.00 NIST
I 2183.00 NIST
I Outlier 2153.00 NIST
I 2195.00 NIST
I 2194.00 NIST
I 2192.00 NIST
I 2235.00 NIST
I 2225.00 NIST
I Outlier 2243.00 NIST
I 2186.00 NIST
I 2186.00 NIST
I 2235.00 NIST
I 2204.00 NIST
I 2191.00 NIST
I 2225.00 NIST
I 2225.00 NIST
I 2206.00 NIST
I 2192.00 NIST
I 2185.00 NIST
I Outlier 2245.00 NIST
I 2193.00 NIST
I 2169.00 NIST
I 2205.00 NIST
I 2213.00 NIST
I 2190.00 NIST
I 2195.00 NIST
I 2213.00 NIST
I 2204.00 NIST
I 2213.00 NIST
I 2204.00 NIST
I 2193.00 NIST
I 2196.00 NIST
I 2217.00 NIST
I 2214.00 NIST
I 2172.00 NIST
I 2180.00 NIST
I 2196.00 NIST
I 2190.00 NIST
I 2213.00 NIST
I 2213.00 NIST
I 2181.00 NIST
I 2192.00 NIST
I 2235.00 NIST
I 2188.00 NIST
I Outlier 2239.00 NIST
I 2200.00 NIST
I 2192.00 NIST
I 2172.00 NIST
I 2182.00 NIST
I 2182.00 NIST
I 2192.00 NIST
I 2215.00 NIST
I 2192.00 NIST
I 2200.00 NIST
I Outlier 2237.00 NIST
I 2193.00 NIST
I 2196.00 NIST
I 2227.00 NIST
I Outlier 2153.00 NIST
I 2213.00 NIST
I 2214.00 NIST
I 2188.00 NIST
I 2182.00 NIST
I 2200.00 NIST
I 2198.00 NIST
I 2210.00 NIST
I 2186.00 NIST
I 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [209.95; 252.16] J/mol×K [503.14; 687.40] Show Hide
Cp,gas 209.95 J/mol×K 503.14 Joback Calculated Property
Cp,gas 217.92 J/mol×K 533.85 Joback Calculated Property
Cp,gas 225.49 J/mol×K 564.56 Joback Calculated Property
Cp,gas 232.69 J/mol×K 595.27 Joback Calculated Property
Cp,gas 239.53 J/mol×K 625.98 Joback Calculated Property
Cp,gas 246.02 J/mol×K 656.69 Joback Calculated Property
Cp,gas 252.16 J/mol×K 687.40 Joback Calculated Property
η [0.0002686; 0.0051305] Pa×s [304.27; 503.14] Show Hide
η 0.0051305 Pa×s 304.27 Joback Calculated Property
η 0.0024649 Pa×s 337.41 Joback Calculated Property
η 0.0013502 Pa×s 370.56 Joback Calculated Property
η 0.0008164 Pa×s 403.70 Joback Calculated Property
η 0.0005328 Pa×s 436.85 Joback Calculated Property
η 0.0003693 Pa×s 470.00 Joback Calculated Property
η 0.0002686 Pa×s 503.14 Joback 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. 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-. (6R,7aR)-3,6-Dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one. (6R,7aS)-3,6-Dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one. Sabinol, 3-methylbut-2-enoate. 8-epi-1,2-Dihydroartemisin. «alpha»-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. 6-«alpha»(H)-Santonin. Jalcaguaianolide.

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

Sources

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.