- InChI
- InChI=1S/C9H7NO2/c1-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12)
- InChI Key
- VAJCSPZKMVQIAP-UHFFFAOYSA-N
- Formula
- C9H7NO2
- SMILES
- Cc1ccc2c(c1)C(=O)C(=O)N2
- Molecular Weight1
- 161.16
- CAS
- 608-05-9
- Other Names
-
- Indole-2,3-dione, 5-methyl-
- 5-Methylisatin
- 2,3-Dihydro-5-methylindole-2,3-dione
- 5-Methylindole-2,3-dione
- 5-Methyl-2,3-indolinedione
- 5-methylindole-2,3(1H)-dione
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization 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).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5707 | Relay (1.0) Calculated Property | |
| ΔfG° | 29.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -177.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.130 | Crippen Calculated Property | |
| McVol | 116.170 | ml/mol | McGowan Calculated Property |
| Pc | 4311.22 | kPa | Joback Calculated Property |
| Tboil | 583.01 | K | Relay (1.0) Calculated Property |
| Tc | 861.54 | K | Relay (1.0) Calculated Property |
| Tfus | 494.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.432 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.28; 346.34] | J/mol×K | [637.56; 901.55] | 
|
| Cp,gas | 282.28 | J/mol×K | 637.56 | Joback Calculated Property |
| Cp,gas | 295.12 | J/mol×K | 681.56 | Joback Calculated Property |
| Cp,gas | 307.13 | J/mol×K | 725.56 | Joback Calculated Property |
| Cp,gas | 318.28 | J/mol×K | 769.56 | Joback Calculated Property |
| Cp,gas | 328.56 | J/mol×K | 813.56 | Joback Calculated Property |
| Cp,gas | 337.92 | J/mol×K | 857.55 | Joback Calculated Property |
| Cp,gas | 346.34 | J/mol×K | 901.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indole-2,3-dione, 5-methyl-.
Sources
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