- InChI
- InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
- InChI Key
- JXDYKVIHCLTXOP-UHFFFAOYSA-N
- Formula
- C8H5NO2
- SMILES
- O=C1Nc2ccccc2C1=O
- Molecular Weight1
- 147.13
- CAS
- 91-56-5
- Other Names
-
- 2,3-Dihydro-1H-indole-2,3-dione
- 2,3-Dihydroindole-2,3-dione
- 2,3-Diketoindoline
- 2,3-Dioxo-2,3-dihydroindole
- 2,3-Dioxoindoline
- 2,3-Ketoindoline
- 2,3-indolinedione
- Indole-2,3-dione
- Isatic acid lactam
- Isatine
- Isatinic acid anhydride
- Isotin
- NSC 9262
- Pseudoisatin
- indoline-2,3-dione
- isatin
- o-Aminobenzoylformic anhydride
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -3594.50 ± 3.80 | kJ/mol | NIST |
| ΔfH°gas | -134.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -268.20 ± 3.80 | kJ/mol | NIST |
| ΔfusH° | 15.80 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 118.80 ± 5.10 | kJ/mol | NIST |
| IE | 8.98 ± 0.05 | eV | NIST |
| log10WS | -2.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.821 | Crippen Calculated Property | |
| McVol | 102.080 | ml/mol | McGowan Calculated Property |
| Inp | [1712.00; 1712.00] |
|
|
| Inp | 1712.00 | NIST | |
| Inp | 1712.00 | NIST | |
| Tboil | 572.06 | K | Relay (1.0) Calculated Property |
| Tfus | [473.00; 474.15] | K |
|
| Tfus | 473.00 ± 4.00 | K | NIST |
| Tfus | 474.15 ± 1.00 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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 | [236.95; 296.64] | J/mol×K | [609.70; 879.30] |
|
| Cp,gas | 236.95 | J/mol×K | 609.70 | Joback Calculated Property |
| Cp,gas | 248.95 | J/mol×K | 654.63 | Joback Calculated Property |
| Cp,gas | 260.16 | J/mol×K | 699.57 | Joback Calculated Property |
| Cp,gas | 270.56 | J/mol×K | 744.50 | Joback Calculated Property |
| Cp,gas | 280.12 | J/mol×K | 789.43 | Joback Calculated Property |
| Cp,gas | 288.83 | J/mol×K | 834.36 | Joback Calculated Property |
| Cp,gas | 296.64 | J/mol×K | 879.30 | Joback Calculated Property |
| ΔfusH | 27.82 | kJ/mol | 475.70 | NIST |
Similar Compounds
Find more compounds similar to 1H-Indole-2,3-dione.
Mixtures
- 1H-Indole-2,3-dione + Water
- Ethanol + 1H-Indole-2,3-dione
- Propylene Glycol + 1H-Indole-2,3-dione
- Ethanol, 2-(2-ethoxyethoxy)- + 1H-Indole-2,3-dione
- 1,2-Ethanediol + 1H-Indole-2,3-dione
- 2-Propanol + 1H-Indole-2,3-dione
- Ethyl Acetate + 1H-Indole-2,3-dione
- Methylene chloride + 1H-Indole-2,3-dione
- Toluene + 1H-Indole-2,3-dione
- Acetone + 1H-Indole-2,3-dione
- 1,4-Dioxane + 1H-Indole-2,3-dione
- Formamide, N,N-dimethyl- + 1H-Indole-2,3-dione
- 1H-Indole-2,3-dione + Tetrahydrofuran
- Acetonitrile + 1H-Indole-2,3-dione
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
- Thermodynamics of solubility of isatin in (PEG 400 + water) mixed solvent systems at T = (298.15 to 338.15) K
- Solubility and Thermodynamic Functions of Isatin in Pure Solvents
- Measurement, Correlation, and Thermodynamics of Solubility of Isatin in Nine Different Green Solvents at (298.15 to 338.15) K
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.