- InChI
- InChI=1S/C9H6BrN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H
- InChI Key
- SCRBSGZBTHKAHU-UHFFFAOYSA-N
- Formula
- C9H6BrN
- SMILES
- Brc1cncc2ccccc12
- Molecular Weight1
- 208.06
- CAS
- 1532-97-4
- Other Names
-
- 4-Bromoisoquinoline
- 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 | 0.3854 | Relay (1.0) Calculated Property | |
| ΔfG° | 250.84 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 237.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 68.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.997 | Crippen Calculated Property | |
| McVol | 121.930 | ml/mol | McGowan Calculated Property |
| Pc | 4777.71 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 555.70 | K | NIST |
| Tc | 855.70 | K | Relay (1.0) Calculated Property |
| Tfus | 326.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.436 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Benzo[f]isoquinoline.](data:image/png;base64,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)
Find more compounds similar to Isoquinoline, 4-bromo-.
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- Crippen Method
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