Chemical Properties of 2,4-Heptanedione, 3,5-dimethyl

2,4-Heptanedione, 3,5-dimethyl

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InChI
InChI=1S/C9H16O2/c1-5-6(2)9(11)7(3)8(4)10/h6-7H,5H2,1-4H3
InChI Key
XYXWCCLFDBKNCB-UHFFFAOYSA-N
Formula
C9H16O2
SMILES
CCC(C)C(=O)C(C)C(C)=O
Molecular Weight1
156.22
Sources

Physical Properties

Property Value Unit Source
Δf -237.82 kJ/mol Joback Calculated Property
Δfgas -464.81 kJ/mol Joback Calculated Property
Δfus 15.22 kJ/mol Joback Calculated Property
Δvap 48.34 kJ/mol Joback Calculated Property
logPoct/wat 1.83 Crippen Calculated Property
Pc 2657.03 kPa Joback Calculated Property
Tboil 512.18 K Joback Calculated Property
Tc 703.77 K Joback Calculated Property
Tfus 261.05 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 319.58 J/mol×K 512.18 Joback Calculated Property
η 0.00 Pa×s 512.18 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-CH2- 1
>C=O (nonring) 2
-CH3 4

Similar Compounds

4,6-Dimethyloctan-3,5-dione. 3,5-Octanedione, 4,6-dimethyl. 2,4-Dimethyl-heptane-3,5-dione. 3-methylnonane-2,4-dione. Tricyclo[3.3.1.13,7]decane-2,4-dione. 4-Methylheptane-3,5-dione. 1,3-Cyclohexanedione, 2-methyl-. Cyclohexanone, 2-acetyl-. 1,3-Cyclopentanedione, 2,4-dimethyl-. 2,4-Pentanedione, 3-butyl-. 2-Acetyl-1,3-cyclohexanedione. 1,3-Cyclohexanedione, 4-propyl-. 2,6-Heptanedione, 3-acetyl. 1,3,5-Cyclohexanetrione,2,2,4,4,6,6-hexamethyl-. 2-Adamantanone.

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