- InChI
- InChI=1S/C9H9BrO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,1H3
- InChI Key
- WPDWOCRJBPXJFM-UHFFFAOYSA-N
- Formula
- C9H9BrO
- SMILES
- CC(Br)C(=O)c1ccccc1
- Molecular Weight1
- 213.07
- CAS
- 2114-00-3
- Other Names
-
- 1-Benzoyl-1-bromoethane
- «alpha»-Bromoethyl phenyl ketone
- 1-Bromoethyl phenyl ketone
- «alpha»-Bromopropiophenone
- 2-Bromopropiophenone
- «alpha»-Methylphenacyl bromide
- Propiophenone, 2-bromo-
- alpha-Bromopropiophenone
- TL 336
- NSC 89689
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 20.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -84.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.70 | kJ/mol | Joback Calculated Property |
| log10WS | -3.09 | Crippen Calculated Property | |
| logPoct/wat | 2.653 | Crippen Calculated Property | |
| McVol | 132.980 | ml/mol | McGowan Calculated Property |
| Pc | 3853.09 | kPa | Joback Calculated Property |
| Tboil | 520.70 | K | NIST |
| Tc | 790.80 | K | Joback Calculated Property |
| Tfus | 312.34 | K | Joback Calculated Property |
| Vc | 0.493 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [270.02; 330.58] | J/mol×K | [551.59; 790.80] | 
|
| Cp,gas | 270.02 | J/mol×K | 551.59 | Joback Calculated Property |
| Cp,gas | 282.27 | J/mol×K | 591.46 | Joback Calculated Property |
| Cp,gas | 293.58 | J/mol×K | 631.33 | Joback Calculated Property |
| Cp,gas | 304.01 | J/mol×K | 671.20 | Joback Calculated Property |
| Cp,gas | 313.61 | J/mol×K | 711.07 | Joback Calculated Property |
| Cp,gas | 322.45 | J/mol×K | 750.94 | Joback Calculated Property |
| Cp,gas | 330.58 | J/mol×K | 790.80 | Joback Calculated Property |
| η | [0.0002837; 0.0032693] | Pa×s | [312.34; 551.59] |
|
| η | 0.0032693 | Pa×s | 312.34 | Joback Calculated Property |
| η | 0.0017274 | Pa×s | 352.22 | Joback Calculated Property |
| η | 0.0010391 | Pa×s | 392.09 | Joback Calculated Property |
| η | 0.0006866 | Pa×s | 431.97 | Joback Calculated Property |
| η | 0.0004866 | Pa×s | 471.84 | Joback Calculated Property |
| η | 0.0003638 | Pa×s | 511.72 | Joback Calculated Property |
| η | 0.0002837 | Pa×s | 551.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanone, 2-bromo-1-phenyl-.
Sources
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