Chemical Properties of 1,3-Cyclohexanedione, 2-methyl- (CAS 1193-55-1)

1,3-Cyclohexanedione, 2-methyl-

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InChI
InChI=1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3
InChI Key
VSGJHHIAMHUZKF-UHFFFAOYSA-N
Formula
C7H10O2
SMILES
CC1C(=O)CCCC1=O
Molecular Weight1
126.15
CAS
1193-55-1
Other Names
  • 1-Methyl-2,6-cyclohexanedione
  • 2-Methyl-1,3-cyclohexanedione
  • 2-Methylcyclohexane-1,3-dione
Sources

Physical Properties

Property Value Unit Source
Δf -212.67 kJ/mol Joback Calculated Property
Δfgas -408.89 kJ/mol Joback Calculated Property
Δfus 4.74 kJ/mol Joback Calculated Property
Δvap 40.10 kJ/mol Joback Calculated Property
IE 9.37 ± 0.05 eV NIST
logPoct/wat 0.945 Crippen Calculated Property
Pc 3834.03 kPa Joback Calculated Property
Tboil 514.75 K Joback Calculated Property
Tc 756.60 K Joback Calculated Property
Tfus 482.00 ± 3.00 K NIST
Vc 0.374 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 231.21 J/mol×K 514.75 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH3 1
>CH- (ring) 1
-CH2- (ring) 3
>C=O (ring) 2

Similar Compounds

2-Acetyl-1,3-cyclohexanedione. 3-methylnonane-2,4-dione. Cyclohexanone, 2-acetyl-. 4-Methylheptane-3,5-dione. Cyclohexanone, 2-methyl-. Cyclohexanone, 2-methyl-, (.+/-.)-. 1,3-Cyclohexanedione, 4-propyl-. 2,4-Heptanedione, 3,5-dimethyl. Tricyclo[3.3.1.13,7]decane-2,4-dione. 1,3-Cyclohexanedione, 2,5,5-trimethyl-. 3,5-Octanedione, 4,6-dimethyl. 4,6-Dimethyloctan-3,5-dione. 2,4-Dimethyl-heptane-3,5-dione. Cyclohexanone, 2,6-dimethyl-. 1,3-Cyclohexanedione, 4,4-dimethyl-.

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