Chemical Properties of 1H-Benz[de]isoquinoline-1,3(2H)-dione (CAS 81-83-4)

1H-Benz[de]isoquinoline-1,3(2H)-dione

InChI
InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)
InChI Key
XJHABGPPCLHLLV-UHFFFAOYSA-N
Formula
C12H7NO2
SMILES
O=C1N=C(O)c2cccc3cccc1c23
Molecular Weight1
197.19
CAS
81-83-4
Other Names
  • 1,8-Naphthalenedicarboximide
  • 1,8-Naphthalimide
  • Naphthalimide
  • naphthalene-1,8-dicarboximide
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Physical Properties

Property Value Unit Source
ΔfH°gas -165.26 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 23.75 kJ/mol Joback Calculated Property
ΔvapH° 104.46 kJ/mol Relay (1.0) Calculated Property
IE 8.68 ± 0.05 eV NIST
log10WS -3.30 Relay (1.0) Calculated Property
logPoct/wat 2.298 Crippen Calculated Property
McVol 138.980 ml/mol McGowan Calculated Property
Tfus 539.12 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [176.56; 434.21] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.02300e+01
Coefficient B9.03280e-01
Coefficient C-5.69840e-04
Coefficient D1.31000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 176.56 J/mol×K 273.00 Calculated Property
Cp,gas 223.81 J/mol×K 353.78 Calculated Property
Cp,gas 265.44 J/mol×K 434.56 Calculated Property
Cp,gas 301.86 J/mol×K 515.33 Calculated Property
Cp,gas 333.48 J/mol×K 596.11 Calculated Property
Cp,gas 360.73 J/mol×K 676.89 Calculated Property
Cp,gas 384.01 J/mol×K 757.67 Calculated Property
Cp,gas 403.74 J/mol×K 838.44 Calculated Property
Cp,gas 420.34 J/mol×K 919.22 Calculated Property
Cp,gas 434.21 J/mol×K 1000.00 Calculated Property

Similar Compounds

8-Carboxynaphyhalene-1-carboxamide. 5-(1'-Formyl-2'-hydroxy-3'-naphthoylamino)-2-benzimidazolone. cis-Acenaphthene-1,2-diol, ferrocenylboronate. Aflatoxin B1. Aflatoxin B2. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TPS. sumatriptan, TMS. Isonipecotic acid, N-(2-fluoro-3-trifluoromethylbenzoyl)-, isohexyl ester. Inosine, 2',3',5'-tribenzoate. Dehydrocytisine. Aflatoxin G1. 9,10-Dihydrophenanthrene-cis-9,10-diol, ferrocenylboronate. Adenosine, 2'-deoxy-N-(trimethylsilyl)-3'-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. 2-Methyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TES.

Find more compounds similar to 1H-Benz[de]isoquinoline-1,3(2H)-dione.

Sources

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