- InChI
- InChI=1S/C10H8BrNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2
- InChI Key
- CHZXTOCAICMPQR-UHFFFAOYSA-N
- Formula
- C10H8BrNO2
- SMILES
- O=C1c2ccccc2C(=O)N1CCBr
- Molecular Weight1
- 254.08
- CAS
- 574-98-1
- Other Names
-
- 1-Bromo-2-phthalimidoethane
- 2-(2-Bromo-ethyl)-isoindole-1,3-dione
- 2-(2-Bromoethyl)phthalimide
- 2-(Bromoethyl)phthalimide
- 2-Phthalimidoethyl bromide
- N-(2-Bromoethyl)phthalimide
- N-(beta-Bromoethyl)phthalimide
- N-(«beta»-Bromoethyl)phthalimide
- N-Bromoethylphthalimide
- NSC 2688
- Phthalimide, N-(2-bromoethyl)-
- beta-Phthalimidoethyl bromide
- «beta»-Bromoethylphthalimide
- «beta»-Phthalimidoethyl bromide
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -208.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔsubH° | 108.70 ± 1.00 | kJ/mol | NIST |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.677 | Crippen Calculated Property | |
| McVol | 147.760 | ml/mol | McGowan Calculated Property |
| Tboil | 619.82 | K | Relay (1.0) Calculated Property |
| Tfus | 354.60 | K | Thermochemical study of some chloro and bromo alkyl substituted phthalimides: Structural energetic correlations |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Similar Compounds
Find more compounds similar to 1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-.
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
- Thermochemical study of some chloro and bromo alkyl substituted phthalimides: Structural energetic correlations
- McGowan Method
- NIST Webbook
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