Chemical Properties of 1H-Isoindole-1,3(2H)-dione, 5-nitro- (CAS 89-40-7)

InChI

InChI=1S/C8H4N2O4/c11-7-5-2-1-4(10(13)14)3-6(5)8(12)9-7/h1-3H,(H,9,11,12)

InChI Key

ANYWGXDASKQYAD-UHFFFAOYSA-N

Formula

C8H4N2O4

SMILES

O=C1NC(=O)c2cc([N+](=O)[O-])ccc21

Molecular Weight¹

192.13

CAS

89-40-7

Other Names

• 4-nitrophthalimide
• 5-nitro-1H-isoindole-1,3(2H)-dione
• 5-nitroisoindoline-1,3-dione
• 5-nitrophthalimide
• Phthalimide, 4-nitro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[316.73; 361.49]	J/mol×K	[766.52; 1055.95]
Cp,gas	316.73	J/mol×K	766.52	Joback Calculated Property
Cp,gas	327.10	J/mol×K	814.76	Joback Calculated Property
Cp,gas	336.36	J/mol×K	863.00	Joback Calculated Property
Cp,gas	344.47	J/mol×K	911.24	Joback Calculated Property
Cp,gas	351.38	J/mol×K	959.47	Joback Calculated Property
Cp,gas	357.07	J/mol×K	1007.71	Joback Calculated Property
Cp,gas	361.49	J/mol×K	1055.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-Isoindole-1,3(2H)-dione, 5-nitro-.

Mixtures

• 1H-Isoindole-1,3(2H)-dione, 5-nitro- + Formamide, N,N-dimethyl- + Methyl Alcohol
• 1H-Isoindole-1,3(2H)-dione, 5-nitro- + Formamide, N,N-dimethyl- + Ethanol
• 1H-Isoindole-1,3(2H)-dione, 5-nitro- + Formamide, N,N-dimethyl- + Acetone
• 1H-Isoindole-1,3(2H)-dione, 5-nitro- + Methyl Alcohol
• 1H-Isoindole-1,3(2H)-dione, 5-nitro- + Ethanol
• 1H-Isoindole-1,3(2H)-dione, 5-nitro- + 2-Propanol
• 1H-Isoindole-1,3(2H)-dione, 5-nitro- + Cyclohexanone
• 1H-Isoindole-1,3(2H)-dione, 5-nitro- + Acetone
• 1H-Isoindole-1,3(2H)-dione, 5-nitro- + Acetonitrile
• 1H-Isoindole-1,3(2H)-dione, 5-nitro- + Ethyl Acetate
• 1H-Isoindole-1,3(2H)-dione, 5-nitro- + 2-Butanone
• 1H-Isoindole-1,3(2H)-dione, 5-nitro- + Trichloromethane
• 1H-Isoindole-1,3(2H)-dione, 5-nitro- + Benzyl alcohol
• 1H-Isoindole-1,3(2H)-dione, 5-nitro- + 1,4-Dioxane
• 1H-Isoindole-1,3(2H)-dione, 5-nitro- + Formamide, N,N-dimethyl-

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Solubility measurement and correlation of 4-nitrophthalimide in (methanol, ethanol, or acetone) + N,N-dimethylformamide mixed solvents at temperatures from 273.15 K to 323.15 K
• Solubility Measurement and Thermodynamic Modeling of 4-Nitrophthalimide in Twelve Pure Solvents at Elevated Temperatures Ranging from (273.15 to 323.15) K
• Joback Method
• McGowan Method
• NIST Webbook

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