Chemical Properties of 2-Cyclopenten-1-one, 2-hydroxy-3-methyl- (CAS 80-71-7)

2-Cyclopenten-1-one, 2-hydroxy-3-methyl-

InChI
InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H3
InChI Key
CFAKWWQIUFSQFU-UHFFFAOYSA-N
Formula
C6H8O2
SMILES
CC1=C(O)C(=O)CC1
Molecular Weight1
112.13
CAS
80-71-7
Other Names
  • 2-Hydroxy-1-methylcyclopenten-3-one
  • 2-Hydroxy-3-methyl-2-cyclopenten-1-one
  • 2-Hydroxy-3-methyl-2-cyclopenten-1-one (Cyclotene)
  • 2-Hydroxy-3-methyl-2-cyclopentene-1-one
  • 2-Hydroxy-3-methyl-2-cyclopentene-1-one(cyclotene)
  • 2-Hydroxy-3-methylcyclopent-2-en-1-one
  • 2-Hydroxy-3-methylcyclopentenone
  • 2-hydroxy-3-methyl-2-cyclopenten1-one (cycloten)
  • 2-hydroxy-3-methyl-2-cyclopentenone
  • 2-hydroxy-3-methylcyclopent-2-enone
  • 3-Methyl-1,2-cyclopentanedione (cyclotene)
  • 3-Methyl-2-hydroxy-2-cyclopentenone
  • 3-Methylcyclopent-2-en-2-ol-1-one
  • Corylon
  • Corylone
  • Cycloten
  • Cyclotene
  • Cyclotene (odorant)
  • Maple lactone
  • Methylcyclopentenolone
  • NSC 133445
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Physical Properties

Property Value Unit Source
ΔfusH° 8.20 kJ/mol Joback Calculated Property
IE 8.97 eV Relay (1.0) Calculated Property
logPoct/wat 1.181 Crippen Calculated Property
McVol 87.680 ml/mol McGowan Calculated Property
Inp [166.55; 1042.00]   Show Hide
Inp 1021.00 NIST
Inp 1025.00 NIST
Inp 1000.00 NIST
Inp 1015.00 NIST
Inp 1036.00 NIST
Inp 1038.00 NIST
Inp 1028.00 NIST
Inp 1034.00 NIST
Inp 1036.00 NIST
Inp 1037.00 NIST
Inp 1029.00 NIST
Inp 1022.00 NIST
Inp 982.00 NIST
Inp 990.00 NIST
Inp 995.00 NIST
Inp 1014.00 NIST
Inp 1034.00 NIST
Inp 1006.00 NIST
Inp 1006.00 NIST
Inp 1006.00 NIST
Inp 1005.00 NIST
Inp 1015.00 NIST
Inp 1027.00 NIST
Inp 1042.00 NIST
Inp 1036.00 NIST
Inp 1036.00 NIST
Inp 1021.00 NIST
Inp Outlier 166.55 NIST
Inp 1027.00 NIST
Inp Outlier 166.55 NIST
Ip [1784.00; 1861.00]   Show Hide
Ip 1839.00 NIST
Ip 1833.00 NIST
Ip 1830.00 NIST
Ip 1824.00 NIST
Ip 1839.00 NIST
Ip 1830.00 NIST
Ip Outlier 1861.00 NIST
Ip 1837.00 NIST
Ip 1829.00 NIST
Ip 1816.00 NIST
Ip Outlier 1860.00 NIST
Ip 1857.00 NIST
Ip 1829.00 NIST
Ip 1834.00 NIST
Ip 1832.00 NIST
Ip 1831.00 NIST
Ip 1807.00 NIST
Ip 1837.00 NIST
Ip 1799.00 NIST
Ip 1830.00 NIST
Ip 1830.00 NIST
Ip 1800.00 NIST
Ip 1839.00 NIST
Ip Outlier 1784.00 NIST
Ip 1806.00 NIST
Ip 1811.00 NIST
Ip 1829.00 NIST
Ip 1831.00 NIST
Ip 1831.00 NIST
Ip 1818.00 NIST
Ip 1827.00 NIST
Ip 1830.00 NIST
Ip 1831.00 NIST
Ip 1832.00 NIST
Tfus 379.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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, 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 [114.77; 285.93] 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 A9.11000e+00
Coefficient B4.22720e-01
Coefficient C-1.25000e-04
Coefficient D-2.09000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 114.77 J/mol×K 273.00 Calculated Property
Cp,gas 142.09 J/mol×K 353.78 Calculated Property
Cp,gas 167.49 J/mol×K 434.56 Calculated Property
Cp,gas 190.90 J/mol×K 515.33 Calculated Property
Cp,gas 212.25 J/mol×K 596.11 Calculated Property
Cp,gas 231.49 J/mol×K 676.89 Calculated Property
Cp,gas 248.54 J/mol×K 757.67 Calculated Property
Cp,gas 263.34 J/mol×K 838.44 Calculated Property
Cp,gas 275.83 J/mol×K 919.22 Calculated Property
Cp,gas 285.93 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-ETHYL-2-HYDROXY-2-CYCLOPENTEN-1-ONE. 2-Hydroxy-3-propyl-2-cyclopenten-1-one. 3-BUTYL-2-HYDROXY-2-CYCLOPENTEN-1-ONE. 2-Cyclopenten-1-one, 2-hydroxy-3-(1-methylethyl). 2-Hydroxy-3-methyl-2-cyclohexen-1-one. 2-Cyclopenten-1-one, 2-hydroxy-3,4-dimethyl-. 2-Hydroxy-3,5-dimethylcyclopent-2-en-1-one. 4-Ethyl-3-methyl-2-hydroxycyclopent-2-en-1-one. 2-Cyclopenten-1-one, 2-hydroxy-3-ethyl-4-methyl. 2-Cyclopenten-1-one, 2-hydroxy-3-ethyl-5-methyl. 5-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one. 2-Cyclopenten-1-one, 2-hydroxy-. 2-Cyclopenten-1-one, 2-hydroxy-3,4,5-trimethyl, trans. 2-Cyclopenten-1-one, 2-hydroxy-3,4,5-trimethyl, cis. 2-Cyclopenten-1-one,3-hydroxy-2-methyl-.

Find more compounds similar to 2-Cyclopenten-1-one, 2-hydroxy-3-methyl-.

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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