- InChI
- InChI=1S/C3H5BrO/c1-3(5)2-4/h2H2,1H3
- InChI Key
- VQFAIAKCILWQPZ-UHFFFAOYSA-N
- Formula
- C3H5BrO
- SMILES
- CC(=O)CBr
- Molecular Weight1
- 136.97
- CAS
- 598-31-2
- Other Names
-
- 2-Propanone, 1-bromo-
- «alpha»-Bromoacetone
- Acetonyl bromide
- Acetylmethyl bromide
- 1-Bromo-2-propanone
- CH3COCH2Br
- 2-Propanone, bromo-
- Bromomethyl methyl ketone
- Bromo-2-propanone
- B-Stoff
- Martonite
- Monobromoacetone
- Rcra waste number P017
- UN 1569
- 1-Bromoacetone
- «alpha»-Bromopropanone
- 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).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -140.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -180.00 ± 8.40 | kJ/mol | NIST |
| ΔfusH° | 10.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.45 | kJ/mol | Joback Calculated Property |
| IE | 9.73 | eV | NIST |
| log10WS | -0.79 | Crippen Calculated Property | |
| logPoct/wat | 0.970 | Crippen Calculated Property | |
| McVol | 72.200 | ml/mol | McGowan Calculated Property |
| Pc | 5296.96 | kPa | Joback Calculated Property |
| Inp | 751.00 | NIST | |
| I | 1030.00 | NIST | |
| Tboil | 388.07 | K | Joback Calculated Property |
| Tc | 589.55 | K | Joback Calculated Property |
| Tfus | 233.30 | K | Joback Calculated Property |
| Vc | 0.272 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [105.72; 135.39] | J/mol×K | [388.07; 589.55] | 
|
| Cp,gas | 105.72 | J/mol×K | 388.07 | Joback Calculated Property |
| Cp,gas | 111.35 | J/mol×K | 421.65 | Joback Calculated Property |
| Cp,gas | 116.70 | J/mol×K | 455.23 | Joback Calculated Property |
| Cp,gas | 121.76 | J/mol×K | 488.81 | Joback Calculated Property |
| Cp,gas | 126.56 | J/mol×K | 522.39 | Joback Calculated Property |
| Cp,gas | 131.10 | J/mol×K | 555.97 | Joback Calculated Property |
| Cp,gas | 135.39 | J/mol×K | 589.55 | Joback Calculated Property |
| η | [0.0004564; 0.0031172] | Pa×s | [233.30; 388.07] |
|
| η | 0.0031172 | Pa×s | 233.30 | Joback Calculated Property |
| η | 0.0019296 | Pa×s | 259.10 | Joback Calculated Property |
| η | 0.0013029 | Pa×s | 284.89 | Joback Calculated Property |
| η | 0.0009390 | Pa×s | 310.69 | Joback Calculated Property |
| η | 0.0007116 | Pa×s | 336.48 | Joback Calculated Property |
| η | 0.0005609 | Pa×s | 362.27 | Joback Calculated Property |
| η | 0.0004564 | Pa×s | 388.07 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 409.70 | K | 96.70 | NIST |
Similar Compounds
Find more compounds similar to Bromoacetone.
Sources
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