- InChI
- InChI=1S/C7H6BrNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H
- InChI Key
- PSIRFUPZHPEKAE-UHFFFAOYSA-N
- Formula
- C7H6BrNO
- SMILES
- ON=Cc1ccccc1Br
- Molecular Weight1
- 200.03
- CAS
- 34158-72-0
- Other Names
-
- Benzaldehyde, 2-bromo-, oxime
- 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 | 0.6092 | Relay (1.0) Calculated Property | |
| ΔfG° | 208.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 108.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.257 | Crippen Calculated Property | |
| McVol | 114.780 | ml/mol | McGowan Calculated Property |
| Pc | 4339.67 | kPa | Joback Calculated Property |
| Tboil | 553.91 | K | Relay (1.0) Calculated Property |
| Tc | 813.68 | K | Relay (1.0) Calculated Property |
| Tfus | 327.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.396 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromobenzaldoxime.
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
- Joback Method
- McGowan Method
- NIST Webbook
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