Chemical Properties of Adamantane-1-carboxamide, n-(4-bromophenyl)- (CAS 121768-29-4)

Adamantane-1-carboxamide, n-(4-bromophenyl)-

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InChI
InChI=1S/C17H20BrNO/c18-14-1-3-15(4-2-14)19-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20)
InChI Key
QBJMRSCAECWAKC-UHFFFAOYSA-N
Formula
C17H20BrNO
SMILES
O=C(Nc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2
Molecular Weight1
334.25
CAS
121768-29-4
Other Names
  • 1-Adamantanecarboxamide, N-(4-bromophenyl)-
Sources

Physical Properties

Property Value Unit Source
Δf 326.78 kJ/mol Joback Calculated Property
Δfgas 5.21 kJ/mol Joback Calculated Property
Δfus 32.50 kJ/mol Joback Calculated Property
Δvap 74.44 kJ/mol Joback Calculated Property
logPoct/wat 4.60 Crippen Calculated Property
Pc 2597.78 kPa Joback Calculated Property
Tboil 810.28 K Joback Calculated Property
Tc 1066.94 K Joback Calculated Property
Tfus 552.64 K Joback Calculated Property
Vc 0.84 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 681.81 J/mol×K 810.28 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=CH- (ring) 4
=C< (ring) 2
-Br 1
>NH 1
>C< (ring) 1
>C=O (nonring) 1
>CH- (ring) 3
-CH2- (ring) 6

Similar Compounds

Cyclohexanecarboxamide, n-(4-bromophenyl)-. 1-Adamantanecarboxamide, n-(4-fluorophenyl)-. 1-Adamantanecarboxamide, n-(3-methylphenyl)-. Cyclopentanecarboxamide, n-(4-bromophenyl)-. 1-Adamantanecarboxamide, n-(4-methoxyphenyl)-. Adamantane-1-carboxamide, n-(1-naphthyl)-. Cyclobutanecarboxamide, n-(4-bromophenyl)-. Octanamide, n-(4-bromophenyl)-. Hexanamide, N-(4-bromophenyl)-. Cyclohexanecarboxamide, n-(4-fluorophenyl)-. Pentanamide, N-(4-bromophenyl)-. Propanamide, N-(4-bromophenyl)-2,2-dimethyl-. Cyclohexanecarboxamide, n-(3-methylphenyl)-. 1-Adamantanecarboxamide, N-(2-iodo-4-methylphenyl)-. Cyclopropanecarboxamide, n-(4-bromophenyl)-.

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