- InChI
- InChI=1S/C9H7BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8H,5H2
- InChI Key
- UXVCSPSWUNMPMT-UHFFFAOYSA-N
- Formula
- C9H7BrO
- SMILES
- O=C1c2ccccc2CC1Br
- Molecular Weight1
- 211.06
- CAS
- 1775-27-5
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | -27.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.65 | kJ/mol | Joback Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.189 | Crippen Calculated Property | |
| McVol | 122.120 | ml/mol | McGowan Calculated Property |
| Tboil | 548.23 | K | Relay (1.0) Calculated Property |
| Tfus | 395.72 | K | Relay (1.0) Calculated Property |
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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.89; 324.13] | J/mol×K | [577.90; 838.49] | 
|
| Cp,gas | 260.89 | J/mol×K | 577.90 | Joback Calculated Property |
| Cp,gas | 273.69 | J/mol×K | 621.33 | Joback Calculated Property |
| Cp,gas | 285.51 | J/mol×K | 664.76 | Joback Calculated Property |
| Cp,gas | 296.40 | J/mol×K | 708.20 | Joback Calculated Property |
| Cp,gas | 306.43 | J/mol×K | 751.63 | Joback Calculated Property |
| Cp,gas | 315.65 | J/mol×K | 795.06 | Joback Calculated Property |
| Cp,gas | 324.13 | J/mol×K | 838.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-1-indanone.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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