Chemical Properties of Acetoacetamide, n-(1,1,3,3-tetramethylbutyl)- (CAS 116346-20-4)

Acetoacetamide, n-(1,1,3,3-tetramethylbutyl)-

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InChI
InChI=1S/C12H23NO2/c1-9(14)7-10(15)13-12(5,6)8-11(2,3)4/h7-8H2,1-6H3,(H,13,15)
InChI Key
ROXIBSLHIBBFKK-UHFFFAOYSA-N
Formula
C12H23NO2
SMILES
CC(=O)CC(=O)NC(C)(C)CC(C)(C)C
Molecular Weight1
213.32
CAS
116346-20-4
Sources

Physical Properties

Property Value Unit Source
Δf -112.61 kJ/mol Joback Calculated Property
Δfgas -480.20 kJ/mol Joback Calculated Property
Δfus 20.30 kJ/mol Joback Calculated Property
Δvap 59.64 kJ/mol Joback Calculated Property
logPoct/wat 2.30 Crippen Calculated Property
Pc 2079.33 kPa Joback Calculated Property
Tboil 625.41 K Joback Calculated Property
Tc 824.40 K Joback Calculated Property
Tfus 382.36 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 522.66 J/mol×K 625.41 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>NH 1
-CH2- 2
>C=O (nonring) 2
>C< 2
-CH3 6

Similar Compounds

2-Propenamide, n-1,1,3,3-tetramethylbutyl-. Acetoacetamide, n-tert-butyl-. N-(3,5-Dimethyl-1-adamantyl)acetamide. 2-Propenamide, n-(1,1-dimethyl-3-oxobutyl)-. Butanamide, N-cyclohexyl-3-methyl. N-(1-adamantyl)acetamide. Valeramide, n-cyclohexyl-2,2,4-trimethyl-3-oxo-. 3-(t-Octylamino)propionitrile. Valeramide, n-tert-butyl-2,2,4-trimethyl-3-oxo-. Butanamide, n-cyclohexyl-. 2H-Azepin-2-one, hexahydro-7-methyl-. Butanamide, N-tert.-butyl-3-methyl. Hexanamide, N-cyclohexyl. Glutaric acid, monoamide, N-(1-adamantyl)-, ethyl ester. Glutaric acid, monoamide, N-(1-adamantyl)-, propyl ester.

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