Chemical Properties of 6-Isobutyryl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione (CAS 22595-45-5)

6-Isobutyryl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione

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InChI
InChI=1S/C14H20O4/c1-7(2)9(15)8-10(16)13(3,4)12(18)14(5,6)11(8)17/h7-8H,1-6H3
InChI Key
ZEOCEPNBYPGWGS-UHFFFAOYSA-N
Formula
C14H20O4
SMILES
CC(C)C(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O
Molecular Weight1
252.31
CAS
22595-45-5
Other Names
  • 1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-6-(2-methyl-1-oxopropyl)-
  • Flaveson
  • Flavesone
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Physical Properties

Property Value Unit Source
Δf -434.08 kJ/mol Joback Calculated Property
Δfgas -819.13 kJ/mol Joback Calculated Property
Δfus 10.00 kJ/mol Joback Calculated Property
Δvap 63.37 kJ/mol Joback Calculated Property
log10WS -1.73 Crippen Calculated Property
logPoct/wat 1.601 Crippen Calculated Property
McVol 203.540 ml/mol McGowan Calculated Property
Pc 2149.31 kPa Joback Calculated Property
Inp [1546.00; 1546.00]   Show Hide
Inp 1546.00 NIST
Inp 1546.00 NIST
Tboil 787.30 K Joback Calculated Property
Tc 1035.51 K Joback Calculated Property
Tfus 533.83 K Joback Calculated Property
Vc 0.767 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [638.72; 758.59] J/mol×K [787.30; 1035.51] Show Hide
Cp,gas 638.72 J/mol×K 787.30 Joback Calculated Property
Cp,gas 659.40 J/mol×K 828.67 Joback Calculated Property
Cp,gas 679.59 J/mol×K 870.04 Joback Calculated Property
Cp,gas 699.46 J/mol×K 911.40 Joback Calculated Property
Cp,gas 719.15 J/mol×K 952.77 Joback Calculated Property
Cp,gas 738.81 J/mol×K 994.14 Joback Calculated Property
Cp,gas 758.59 J/mol×K 1035.51 Joback Calculated Property

Similar Compounds

6-acetyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione. 2,2,4,4-Tetramethyl-6-(3-methylbutanoyl)cyclohexane-1,3,5-trione. 2,4-Dimethyl-heptane-3,5-dione. 4,6-Dimethyloctan-3,5-dione. 3,5-Octanedione, 4,6-dimethyl. Hexanal, 3-oxo-2,2,4-triethyl. 2,4-Heptanedione, 3,5-dimethyl. Tricyclo[3.3.1.13,7]decane-2,4-dione. Cyclohexanone, 2,2,6-trimethyl-. 3,5-Heptanedione, 2,2,6-trimethyl-. 1,3-Cyclohexanedione, 2-methyl-. 1,4-Cyclohexanedione, 2,2,6-trimethyl-. 1,3-Cyclohexanedione, 2,5,5-trimethyl-. 3-methylnonane-2,4-dione. 1-Cyclohexanone, 2-methyl-2-(3-methyl-2-oxobutyl).

Find more compounds similar to 6-Isobutyryl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione.

Sources

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