- InChI
- InChI=1S/C8H7BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
- InChI Key
- PIMNFNXBTGPCIL-UHFFFAOYSA-N
- Formula
- C8H7BrO
- SMILES
- CC(=O)c1ccccc1Br
- Molecular Weight1
- 199.04
- CAS
- 2142-69-0
- Other Names
-
- 1-(2-bromophenyl)ethanone
- 1-acetyl-2-bromobenzene
- 2'-bromoacetophenone
- 2-bromophenyl methyl ketone
- Acetophenone, 2'-bromo-
- Acetophenone, o-bromo-
- o-Bromoacetophenone
- o-Bromophenyl methyl ketone
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4220 | Relay (1.0) Calculated Property | |
| ΔfG° | 4.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -88.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.652 | Crippen Calculated Property | |
| McVol | 118.890 | ml/mol | McGowan Calculated Property |
| Pc | 4227.54 | kPa | Joback Calculated Property |
| Tboil | 516.56 | K | Relay (1.0) Calculated Property |
| Tc | 755.63 | K | Relay (1.0) Calculated Property |
| Tfus | 296.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.425 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.59; 277.78] | J/mol×K | [534.13; 773.78] | 
|
| Cp,gas | 225.59 | J/mol×K | 534.13 | Joback Calculated Property |
| Cp,gas | 236.06 | J/mol×K | 574.07 | Joback Calculated Property |
| Cp,gas | 245.77 | J/mol×K | 614.01 | Joback Calculated Property |
| Cp,gas | 254.75 | J/mol×K | 653.96 | Joback Calculated Property |
| Cp,gas | 263.05 | J/mol×K | 693.90 | Joback Calculated Property |
| Cp,gas | 270.71 | J/mol×K | 733.84 | Joback Calculated Property |
| Cp,gas | 277.78 | J/mol×K | 773.78 | Joback Calculated Property |
| η | [0.0003200; 0.0020282] | Pa×s | [328.59; 534.13] |
|
| η | 0.0020282 | Pa×s | 328.59 | Joback Calculated Property |
| η | 0.0012893 | Pa×s | 362.85 | Joback Calculated Property |
| η | 0.0008862 | Pa×s | 397.10 | Joback Calculated Property |
| η | 0.0006465 | Pa×s | 431.36 | Joback Calculated Property |
| η | 0.0004940 | Pa×s | 465.62 | Joback Calculated Property |
| η | 0.0003917 | Pa×s | 499.87 | Joback Calculated Property |
| η | 0.0003200 | Pa×s | 534.13 | Joback Calculated Property |
| ΔvapH | 64.90 | kJ/mol | 298.15 | Calorimetric study of bromoacetophenone isomers |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 385.00 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Ethanone, 1-(2-bromophenyl)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Calorimetric study of bromoacetophenone isomers
- Joback Method
- McGowan Method
- NIST Webbook
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