Chemical Properties of Isobutamben (CAS 94-14-4)

Isobutamben

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InChI
InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7,12H2,1-2H3
InChI Key
PUYOAVGNCWPANW-UHFFFAOYSA-N
Formula
C11H15NO2
SMILES
CC(C)COC(=O)c1ccc(N)cc1
Molecular Weight1
193.24
CAS
94-14-4
Other Names
  • (2-Methylpropyl) p-aminobenzoate
  • 4-Aminobenzoic acid, 2-methylpropyl ester
  • Benzamelid
  • Benzoic acid, 4-amino-, 2-methylpropyl ester
  • Benzoic acid, p-amino-, 2-methylpropyl ester
  • Benzoic acid, p-amino-, isobutyl ester
  • Cicloforme
  • Cyclocaine
  • Cycloform
  • Cyclogesin
  • Isobutambene
  • Isobutyl 4-aminobenzoate
  • Isobutyl Keloform
  • Isobutyl p-aminobenzoate
  • Isobutyl p-aminobenzobenzoate
  • Isobutylcaine
  • Isocaine
  • NSC 23517
  • p-Aminobenzoic acid isobutyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -25.39 kJ/mol Joback Calculated Property
Δfgas -261.60 kJ/mol Joback Calculated Property
Δfus 22.36 kJ/mol Joback Calculated Property
Δvap 62.43 kJ/mol Joback Calculated Property
logPoct/wat 2.08 Crippen Calculated Property
Pc 2931.34 kPa Joback Calculated Property
Tboil 631.12 K Joback Calculated Property
Tc 853.74 K Joback Calculated Property
Tfus 393.09 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 406.12 J/mol×K 631.12 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
-NH2 1
=C< (ring) 2
-CH2- 1
-CH3 2

Similar Compounds

Propyl 4-aminobenzoate. Benzoic acid, 4-amino-, 2-methylbutyl ester. Butamben. Benzoic acid, 4-amino-, 3-methylbutyl ester. Amyl p-aminobenzoate. Benzoic acid, 4-amino-, 1-methylpropyl ester. Benzoic acid, 4-amino-, ethyl ester. Heptyl p-aminobenzoate. Benzoic acid, 4-amino-, octyl ester. Benzoic acid, 4-amino-, isopropyl ester. Benzoic acid, 2-methylpropyl ester. Benzoic acid, neopentyl ester. Benzoic acid, 4-propylamino-, propyl ester. P-nitrobenzoic acid, isobutyl ester. Benzoic acid, 4-amino-, methyl ester.

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