- InChI
- InChI=1S/C4H7BrO/c1-3(5)4(2)6/h3H,1-2H3
- InChI Key
- BNBOUFHCTIFWHN-UHFFFAOYSA-N
- Formula
- C4H7BrO
- SMILES
- CC(=O)C(C)Br
- Molecular Weight1
- 151.00
- CAS
- 814-75-5
- Other Names
-
- 3-Bromo-2-butanone
- 3-bromobutan-2-one
- 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).
- 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° | -134.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -217.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.29 | kJ/mol | Joback Calculated Property |
| log10WS | -1.32 | Crippen Calculated Property | |
| logPoct/wat | 1.359 | Crippen Calculated Property | |
| McVol | 86.290 | ml/mol | McGowan Calculated Property |
| Pc | 4678.49 | kPa | Joback Calculated Property |
| Tboil | 410.51 | K | Joback Calculated Property |
| Tc | 615.14 | K | Joback Calculated Property |
| Tfus | 229.57 | K | Joback Calculated Property |
| Vc | 0.322 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.44; 178.84] | J/mol×K | [410.51; 615.14] | 
|
| Cp,gas | 139.44 | J/mol×K | 410.51 | Joback Calculated Property |
| Cp,gas | 146.94 | J/mol×K | 444.61 | Joback Calculated Property |
| Cp,gas | 154.04 | J/mol×K | 478.72 | Joback Calculated Property |
| Cp,gas | 160.77 | J/mol×K | 512.82 | Joback Calculated Property |
| Cp,gas | 167.14 | J/mol×K | 546.93 | Joback Calculated Property |
| Cp,gas | 173.16 | J/mol×K | 581.03 | Joback Calculated Property |
| Cp,gas | 178.84 | J/mol×K | 615.14 | Joback Calculated Property |
| η | [0.0004246; 0.0047331] | Pa×s | [229.57; 410.51] |
|
| η | 0.0047331 | Pa×s | 229.57 | Joback Calculated Property |
| η | 0.0025078 | Pa×s | 259.73 | Joback Calculated Property |
| η | 0.0015165 | Pa×s | 289.88 | Joback Calculated Property |
| η | 0.0010082 | Pa×s | 320.04 | Joback Calculated Property |
| η | 0.0007191 | Pa×s | 350.20 | Joback Calculated Property |
| η | 0.0005411 | Pa×s | 380.35 | Joback Calculated Property |
| η | 0.0004246 | Pa×s | 410.51 | Joback Calculated Property |
| ΔvapH | 46.40 | kJ/mol | 357.50 | NIST |
Similar Compounds
Find more compounds similar to 2-Butanone, 3-bromo-.
Sources
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