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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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- + Methyl Alcohol
• 1H-Isoindole-1,3(2H)-dione, 5-nitro- + Ethanol
• 1H-Isoindole-1,3(2H)-dione, 5-nitro- + Isopropyl Alcohol
• 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-
• 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

Sources

• 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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