- InChI
- InChI=1S/C8H8N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9H,3-4H2
- InChI Key
- WJQWYAJTPPYORB-UHFFFAOYSA-N
- Formula
- C8H8N2O2
- SMILES
- O=[N+]([O-])c1ccc2c(c1)CCN2
- Molecular Weight1
- 164.16
- CAS
- 32692-19-6
- Other Names
-
- Indoline, 5-nitro-
- 5-Nitro-2,3-dihydroindole
- 5-Nitroindoline
- 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | 301.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 125.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.75 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 109.80 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 60.57 | kJ/mol | Joback Calculated Property |
| log10WS | -2.41 | Crippen Calculated Property | |
| logPoct/wat | 1.563 | Crippen Calculated Property | |
| McVol | 116.360 | ml/mol | McGowan Calculated Property |
| Pc | 4534.68 | kPa | Joback Calculated Property |
| Tboil | 630.88 | K | Joback Calculated Property |
| Tc | 898.23 | K | Joback Calculated Property |
| Tfus | 502.20 | K | Joback Calculated Property |
| Vc | 0.453 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [283.85; 341.94] | J/mol×K | [630.88; 898.23] | 
|
| Cp,gas | 283.85 | J/mol×K | 630.88 | Joback Calculated Property |
| Cp,gas | 295.70 | J/mol×K | 675.44 | Joback Calculated Property |
| Cp,gas | 306.55 | J/mol×K | 720.00 | Joback Calculated Property |
| Cp,gas | 316.51 | J/mol×K | 764.55 | Joback Calculated Property |
| Cp,gas | 325.67 | J/mol×K | 809.11 | Joback Calculated Property |
| Cp,gas | 334.11 | J/mol×K | 853.67 | Joback Calculated Property |
| Cp,gas | 341.94 | J/mol×K | 898.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indole, 2,3-dihydro-5-nitro-.
Sources
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