- 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
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.4646 | Relay (1.0) Calculated Property | |
| ΔfG° | 80.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -27.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.189 | Crippen Calculated Property | |
| McVol | 122.120 | ml/mol | McGowan Calculated Property |
| Pc | 4260.71 | kPa | Joback Calculated Property |
| Tboil | 548.23 | K | Relay (1.0) Calculated Property |
| Tc | 829.24 | K | Relay (1.0) Calculated Property |
| Tfus | 400.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.430 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.83; 324.07] | J/mol×K | [577.70; 838.20] | 
|
| Cp,gas | 260.83 | J/mol×K | 577.70 | Joback Calculated Property |
| Cp,gas | 273.63 | J/mol×K | 621.12 | Joback Calculated Property |
| Cp,gas | 285.45 | J/mol×K | 664.53 | Joback Calculated Property |
| Cp,gas | 296.34 | J/mol×K | 707.95 | Joback Calculated Property |
| Cp,gas | 306.37 | J/mol×K | 751.37 | Joback Calculated Property |
| Cp,gas | 315.60 | J/mol×K | 794.78 | Joback Calculated Property |
| Cp,gas | 324.07 | J/mol×K | 838.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-1-indanone.
Sources
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