Chemical Properties of 2-Allyl-2-methyl-1,3-cyclopentanedione (CAS 26828-48-8)

2-Allyl-2-methyl-1,3-cyclopentanedione

InChI
InChI=1S/C9H12O2/c1-3-6-9(2)7(10)4-5-8(9)11/h3H,1,4-6H2,2H3
InChI Key
MCOMBKZMVPQQKK-UHFFFAOYSA-N
Formula
C9H12O2
SMILES
C=CCC1(C)C(=O)CCC1=O
Molecular Weight1
152.19
CAS
26828-48-8
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Physical Properties

Property Value Unit Source
ΔfusH° 4.44 kJ/mol Joback Calculated Property
IE 8.96 eV Relay (1.0) Calculated Property
log10WS -1.29 Relay (1.0) Calculated Property
logPoct/wat 1.501 Crippen Calculated Property
McVol 125.650 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 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.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 334.70 K 0.10 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [162.18; 444.02] 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-4.58990e+01
Coefficient B9.25820e-01
Coefficient C-6.60700e-04
Coefficient D2.24800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 162.18 J/mol×K 273.00 Calculated Property
Cp,gas 208.90 J/mol×K 353.78 Calculated Property
Cp,gas 250.10 J/mol×K 434.56 Calculated Property
Cp,gas 286.51 J/mol×K 515.33 Calculated Property
Cp,gas 318.83 J/mol×K 596.11 Calculated Property
Cp,gas 347.78 J/mol×K 676.89 Calculated Property
Cp,gas 374.06 J/mol×K 757.67 Calculated Property
Cp,gas 398.39 J/mol×K 838.44 Calculated Property
Cp,gas 421.47 J/mol×K 919.22 Calculated Property
Cp,gas 444.02 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,2,4-Cyclopentanetrione, 3,3-bis(3-methyl-2-butenyl)-5-(3-methyl-1-oxobutyl)-. 5-Allyl-5-(2-hydroxypropyl)barbituric acid. Cyclohexanone, 2-(2-propenyl)-. Androst-2-en-17-one, (5.alpha.)-. 3-Oxa-2,2,4-trimethyl-4-vinylcyclohexanone. 1,2,4-Cyclopentanetrione, 3,3-bis(3-methyl-2-butenyl)-5-(2-methyl-1-oxopropyl)-. Karahanaenone. 6-Hepten-3-one, 4-methyl-. 4-ethyl-6-hepten-3-one. 8-(4-Methylpentene-3-yl) spiro[4.5]decene-7-one-1. trans-Humul-9(E)-en-2,6-dione. 7-(4-Methylpentene-3-yl) spiro[4.5]decene-7-one-1. Ethanone, 1-(1,3-dimethyl-3-cyclohexen-1-yl)-. 9-(4-Methylpentene-3-yl) spiro[5.5]undecene-8-one-1. Cyclopentanecarboxylic acid, 1-(2-butenyl)-2-oxo-, ethyl ester, (Z)-.

Find more compounds similar to 2-Allyl-2-methyl-1,3-cyclopentanedione.

Sources

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