Chemical Properties of Isophthalamide (CAS 1740-57-4)

Isophthalamide

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InChI
InChI=1S/C8H8N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)
InChI Key
QZUPTXGVPYNUIT-UHFFFAOYSA-N
Formula
C8H8N2O2
SMILES
NC(=O)c1cccc(C(N)=O)c1
Molecular Weight1
164.16
CAS
1740-57-4
Other Names
  • 1,3-Benzenedicarboxamide
  • isophthaldiamide
Sources

Physical Properties

Property Value Unit Source
Δcsolid -3854.60 ± 0.96 kJ/mol NIST
Δf -5.68 kJ/mol Joback Calculated Property
Δfgas -382.00 ± 0.40 kJ/mol NIST
Δfsolid -436.90 ± 1.00 kJ/mol NIST
Δfus 23.72 kJ/mol Joback Calculated Property
Δsub 54.40 ± 4.20 kJ/mol NIST
Δvap 71.11 kJ/mol Joback Calculated Property
logPoct/wat -0.12 Crippen Calculated Property
Pc 4890.21 kPa Joback Calculated Property
Tboil 666.90 K Joback Calculated Property
Tc 914.95 K Joback Calculated Property
Tfus 485.24 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 303.26 J/mol×K 666.9 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

m-Toluamide. 3,4-Dimethylbenzamide. 3-Methylbenzoylhydrazide. 3-CH3-C6H4CON(CH3)2. 3-Methylbenzoyl isothiocyanate. 2,3-Dimethylbenzamide. Benzamide. 3-CF3-C6H4CONH2. N,n,n',n'-tetraethylisophthalamide. Benzamide, 4-methyl-. 3,5-Bis(trifluoromethyl)benzamide. Terephthalamide. 1,3-Benzenedimethanamine. Diethyltoluamide. Isophthalaldehyde.

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