Chemical Properties of Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester (CAS 24851-98-7)

Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester

InChI
InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3
InChI Key
KVWWIYGFBYDJQC-UHFFFAOYSA-N
Formula
C13H22O3
SMILES
CCCCCC1C(=O)CCC1CC(=O)OC
Molecular Weight1
226.31
CAS
24851-98-7
Other Names
  • Hedione
  • Kharismal
  • Methyl (2-pentyl-3-oxocyclopentyl)acetate
  • Methyl (3-oxo-2-pentylcyclopentyl)acetate
  • Methyl dihydrojasmonate
  • Methyl hydrojasmonate
  • methyl 3-oxo-2-pentylcyclopentaneacetate
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Physical Properties

Property Value Unit Source
ΔfusH° 28.31 kJ/mol Joback Calculated Property
logPoct/wat 2.725 Crippen Calculated Property
McVol 192.180 ml/mol McGowan Calculated Property
Inp [1648.00; 1650.00]   Show Hide
Inp 1649.00 NIST
Inp 1650.00 NIST
Inp 1648.00 NIST
Inp 1649.00 NIST
Ip [2229.00; 2276.00]   Show Hide
Ip 2237.00 NIST
Ip 2276.00 NIST
Ip 2274.00 NIST
Ip 2262.00 NIST
Ip 2276.00 NIST
Ip 2241.00 NIST
Ip 2265.00 NIST
Ip 2229.00 NIST
Ip 2237.00 NIST
Tfus 263.15 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, 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 [273.01; 687.21] 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 A-1.63500e+00
Coefficient B1.12094e+00
Coefficient C-4.16800e-04
Coefficient D-1.53000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 273.01 J/mol×K 273.00 Calculated Property
Cp,gas 342.09 J/mol×K 353.78 Calculated Property
Cp,gas 405.51 J/mol×K 434.56 Calculated Property
Cp,gas 463.24 J/mol×K 515.33 Calculated Property
Cp,gas 515.22 J/mol×K 596.11 Calculated Property
Cp,gas 561.40 J/mol×K 676.89 Calculated Property
Cp,gas 601.74 J/mol×K 757.67 Calculated Property
Cp,gas 636.19 J/mol×K 838.44 Calculated Property
Cp,gas 664.69 J/mol×K 919.22 Calculated Property
Cp,gas 687.21 J/mol×K 1000.00 Calculated Property

Similar Compounds

(+)-methyldihydroepijasmonate. methyl dihydroepijasmonate. Prohydrojasmon, isomer 2. Prohydrojasmon, isomer 1. Methyl 5-«beta»-cholan-3,7-dione-24-oate. Cholan-24-oic acid, 3,7,12-trioxo-, methyl ester. Cholan-24-oic acid, 3,12-dioxo-, methyl ester, (5«alpha»)-. 1-«alpha»,2-«alpha»,5-«alpha»-Nepetonic acid, methyl ester. Cholan-24-oic acid, 3-oxo-, methyl ester, (5«beta»)-. (1-Methylhexyl)succinic acid, methyl ester. (1-Methylheptyl)succinic acid, methyl ester. (1-Methylpentyl)succinic acid, methyl ester. (1-Methylbutyl)succinic acid, methyl ester. Methyl-2,6-Dimethyl-5-oxoheptanoate. Cyclopentylsuccinic acid, methyl ester.

Find more compounds similar to Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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