- InChI
- InChI=1S/C4H6Br2O/c1-4(2,6)3(5)7/h1-2H3
- InChI Key
- YOCIJWAHRAJQFT-UHFFFAOYSA-N
- Formula
- C4H6Br2O
- SMILES
- CC(C)(Br)C(=O)Br
- Molecular Weight1
- 229.90
- Other Names
-
- 2-Bromoisobutyryl bromide
- «alpha»-Bromoisobutyryl bromide
- 2-Bromo-2-methyl-propionyl bromide
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -212.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.15 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.081 | Crippen Calculated Property | |
| McVol | 103.790 | ml/mol | McGowan Calculated Property |
| Tboil | 436.20 | K | NIST |
| Tfus | 265.00 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [170.86; 207.51] | J/mol×K | [474.08; 707.46] | 
|
| Cp,gas | 170.86 | J/mol×K | 474.08 | Joback Calculated Property |
| Cp,gas | 178.52 | J/mol×K | 512.98 | Joback Calculated Property |
| Cp,gas | 185.49 | J/mol×K | 551.87 | Joback Calculated Property |
| Cp,gas | 191.81 | J/mol×K | 590.77 | Joback Calculated Property |
| Cp,gas | 197.55 | J/mol×K | 629.67 | Joback Calculated Property |
| Cp,gas | 202.76 | J/mol×K | 668.56 | Joback Calculated Property |
| Cp,gas | 207.51 | J/mol×K | 707.46 | Joback Calculated Property |
| η | [0.0004789; 0.0035573] | Pa×s | [306.79; 474.08] |
|
| η | 0.0035573 | Pa×s | 306.79 | Joback Calculated Property |
| η | 0.0022157 | Pa×s | 334.67 | Joback Calculated Property |
| η | 0.0014844 | Pa×s | 362.55 | Joback Calculated Property |
| η | 0.0010529 | Pa×s | 390.44 | Joback Calculated Property |
| η | 0.0007819 | Pa×s | 418.32 | Joback Calculated Property |
| η | 0.0006026 | Pa×s | 446.20 | Joback Calculated Property |
| η | 0.0004789 | Pa×s | 474.08 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 367.70 | K | 13.30 | NIST |
Similar Compounds
Find more compounds similar to Propanoyl bromide, 2-bromo-2-methyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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