- InChI
- InChI=1S/C6H11BrO/c1-6(2,3)5(8)4-7/h4H2,1-3H3
- InChI Key
- SAIRZMWXVJEBMO-UHFFFAOYSA-N
- Formula
- C6H11BrO
- SMILES
- CC(C)(C)C(=O)CBr
- Molecular Weight1
- 179.06
- CAS
- 5469-26-1
- Other Names
-
- 1-Bromo-3,3-dimethyl-2-butanone
- Bromomethyl tert-butyl ketone
- 1-Bromopinacolin
- Bromopinacolone
- «alpha»-Bromopinacolone
- 1-Bromopinacolone
- tert-Butyl Bromomethyl ketone
- 3,3-Dimethyl-2-oxobutyl bromide
- Pivaloylmethyl bromide
- 1-Bromo-3,3-dimethylbutan-2-one
- Bromopinacolin
- NSC 25307
- 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).
- 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° | -112.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -262.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.84 | kJ/mol | Joback Calculated Property |
| log10WS | -1.80 | Crippen Calculated Property | |
| logPoct/wat | 1.997 | Crippen Calculated Property | |
| McVol | 114.470 | ml/mol | McGowan Calculated Property |
| Pc | 3704.46 | kPa | Joback Calculated Property |
| Tboil | 453.48 | K | Joback Calculated Property |
| Tc | 662.19 | K | Joback Calculated Property |
| Tfus | 269.53 | K | Joback Calculated Property |
| Vc | 0.428 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.68; 273.08] | J/mol×K | [453.48; 662.19] | 
|
| Cp,gas | 216.68 | J/mol×K | 453.48 | Joback Calculated Property |
| Cp,gas | 227.74 | J/mol×K | 488.26 | Joback Calculated Property |
| Cp,gas | 238.09 | J/mol×K | 523.05 | Joback Calculated Property |
| Cp,gas | 247.75 | J/mol×K | 557.83 | Joback Calculated Property |
| Cp,gas | 256.78 | J/mol×K | 592.62 | Joback Calculated Property |
| Cp,gas | 265.21 | J/mol×K | 627.40 | Joback Calculated Property |
| Cp,gas | 273.08 | J/mol×K | 662.19 | Joback Calculated Property |
| η | [0.0004018; 0.0047911] | Pa×s | [269.53; 453.48] |
|
| η | 0.0047911 | Pa×s | 269.53 | Joback Calculated Property |
| η | 0.0025669 | Pa×s | 300.19 | Joback Calculated Property |
| η | 0.0015439 | Pa×s | 330.85 | Joback Calculated Property |
| η | 0.0010122 | Pa×s | 361.50 | Joback Calculated Property |
| η | 0.0007089 | Pa×s | 392.16 | Joback Calculated Property |
| η | 0.0005228 | Pa×s | 422.82 | Joback Calculated Property |
| η | 0.0004018 | Pa×s | 453.48 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 345.00 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to 2-Butanone, 1-bromo-3,3-dimethyl-.
Sources
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