- InChI
- InChI=1S/C13H14BrNO2/c14-8-4-1-5-9-15-12(16)10-6-2-3-7-11(10)13(15)17/h2-3,6-7H,1,4-5,8-9H2
- InChI Key
- QKVHAKICMNABGB-UHFFFAOYSA-N
- Formula
- C13H14BrNO2
- SMILES
- O=C1c2ccccc2C(=O)N1CCCCCBr
- Molecular Weight1
- 296.16
- CAS
- 954-81-4
- 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 | 0.7873 | Relay (1.0) Calculated Property | |
| ΔfG° | -38.47 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -282.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.848 | Crippen Calculated Property | |
| McVol | 190.030 | ml/mol | McGowan Calculated Property |
| Pc | 2536.26 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 641.02 | K | Relay (1.0) Calculated Property |
| Tc | 904.54 | K | Relay (1.0) Calculated Property |
| Tfus | 375.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.687 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Phthalimide, N-[4-(2-oxo-3-oxazolidinyl)butyl]-.](data:image/png;base64,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)
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- Crippen Method
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