Chemical Properties of 2-Isobutylbenzoxazone-4

2-Isobutylbenzoxazone-4

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InChI
InChI=1S/C12H15NO2/c1-8(2)7-11-13-12(14)9-5-3-4-6-10(9)15-11/h3-6,8,11H,7H2,1-2H3,(H,13,14)
InChI Key
XPBPOARBCZQXPO-UHFFFAOYSA-N
Formula
C12H15NO2
SMILES
CC(C)CC1NC(=O)c2ccccc2O1
Molecular Weight1
205.25
Sources

Physical Properties

Property Value Unit Source
Δf 78.15 kJ/mol Joback Calculated Property
Δfgas -236.48 kJ/mol Joback Calculated Property
Δfus 30.08 kJ/mol Joback Calculated Property
Δvap 60.46 kJ/mol Joback Calculated Property
logPoct/wat 2.18 Crippen Calculated Property
Pc 2953.69 kPa Joback Calculated Property
Tboil 659.51 K Joback Calculated Property
Tc 903.13 K Joback Calculated Property
Tfus 463.18 K Joback Calculated Property
Vc 0.61 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 441.25 J/mol×K 659.51 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Trichlamide, N-trifluoroacetyl-. Benzamide, n-allyl-, o-(carboxymethoxy)-. 6-Methyl-3-(2-nitroxyethyl)-2H-1,3-benzoxazin-4(3H)-one. Isonipecotic acid, N-(2-methoxybenzoyl)-, ethyl ester. Trichlamide, N-pentafluoropropionyl-. Isonipecotic acid, N-(2-methoxybenzoyl)-, propyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, butyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, pentyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, isohexyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, nonyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, decyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, dodecyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, undecyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, octyl ester. Isonipecotic acid, N-(2-methoxybenzoyl)-, hexyl ester.

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