- InChI
- InChI=1S/C10H10N2O3/c1-6-5-7-8(11(6)2)3-4-9(13)10(7)12(14)15/h3-5,13H,1-2H3
- InChI Key
- AAHRWLRCEUVGFY-UHFFFAOYSA-N
- Formula
- C10H10N2O3
- SMILES
-
Cc1cc2c([N+](=O)[O-])c(O)ccc2n
1C - Molecular Weight1
- 206.20
- CAS
- 53918-86-8
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.7376 | Relay (1.0) Calculated Property | |
| ΔfG° | 169.42 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -91.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.101 | Crippen Calculated Property | |
| McVol | 146.110 | ml/mol | McGowan Calculated Property |
| Pc | 4348.15 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 585.21 | K | Relay (1.0) Calculated Property |
| Tc | 922.45 | K | Relay (1.0) Calculated Property |
| Tfus | 446.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.523 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nitro-5-hydroxy-1,2-dimethylindole.
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
- McGowan Method
- NIST Webbook
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