- InChI
- InChI=1S/C9H7BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
- InChI Key
- KSONICAHAPRCMV-UHFFFAOYSA-N
- Formula
- C9H7BrO
- SMILES
- O=C1CCc2cc(Br)ccc21
- Molecular Weight1
- 211.06
- CAS
- 34598-49-7
- Other Names
-
- 1-Indanone, 5-bromo-
- 5-Bromo-1-indanone
- 5-Bromoindanone
- 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 | 0.4734 | Relay (1.0) Calculated Property | |
| ΔfG° | 78.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -45.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.578 | Crippen Calculated Property | |
| McVol | 122.120 | ml/mol | McGowan Calculated Property |
| Pc | 4362.63 | kPa | Joback Calculated Property |
| Tboil | 564.76 | K | Relay (1.0) Calculated Property |
| Tc | 826.07 | K | Relay (1.0) Calculated Property |
| Tfus | 358.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.434 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.42; 316.79] | J/mol×K | [587.35; 848.79] | 
|
| Cp,gas | 257.42 | J/mol×K | 587.35 | Joback Calculated Property |
| Cp,gas | 269.38 | J/mol×K | 630.92 | Joback Calculated Property |
| Cp,gas | 280.43 | J/mol×K | 674.50 | Joback Calculated Property |
| Cp,gas | 290.64 | J/mol×K | 718.07 | Joback Calculated Property |
| Cp,gas | 300.06 | J/mol×K | 761.64 | Joback Calculated Property |
| Cp,gas | 308.76 | J/mol×K | 805.22 | Joback Calculated Property |
| Cp,gas | 316.79 | J/mol×K | 848.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Inden-1-one, 5-bromo-2,3-dihydro-.
Sources
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