- InChI
- InChI=1S/C10H11BrO/c1-10(2,11)9(12)8-6-4-3-5-7-8/h3-7H,1-2H3
- InChI Key
- QMOSZSHTSOWPRX-UHFFFAOYSA-N
- Formula
- C10H11BrO
- SMILES
- CC(C)(Br)C(=O)c1ccccc1
- Molecular Weight1
- 227.10
- Other Names
-
- «alpha»-Bromoisobutyrophenone
- 1-Propanone, 2-bromo-2-methyl-1-phenyl-
- Phenyl 2-bromo-2-propyl ketone
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4408 | Relay (1.0) Calculated Property | |
| ΔfG° | 33.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -103.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.043 | Crippen Calculated Property | |
| McVol | 147.070 | ml/mol | McGowan Calculated Property |
| Pc | 3476.55 | kPa | Joback Calculated Property |
| Tboil | 524.71 | K | Relay (1.0) Calculated Property |
| Tc | 750.55 | K | Relay (1.0) Calculated Property |
| Tfus | 314.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.522 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [318.35; 384.38] | J/mol×K | [571.68; 816.07] | 
|
| Cp,gas | 318.35 | J/mol×K | 571.68 | Joback Calculated Property |
| Cp,gas | 331.97 | J/mol×K | 612.41 | Joback Calculated Property |
| Cp,gas | 344.42 | J/mol×K | 653.14 | Joback Calculated Property |
| Cp,gas | 355.79 | J/mol×K | 693.88 | Joback Calculated Property |
| Cp,gas | 366.18 | J/mol×K | 734.61 | Joback Calculated Property |
| Cp,gas | 375.68 | J/mol×K | 775.34 | Joback Calculated Property |
| Cp,gas | 384.38 | J/mol×K | 816.07 | Joback Calculated Property |
| η | [0.0002496; 0.0028456] | Pa×s | [341.03; 571.68] |
|
| η | 0.0028456 | Pa×s | 341.03 | Joback Calculated Property |
| η | 0.0015446 | Pa×s | 379.47 | Joback Calculated Property |
| η | 0.0009381 | Pa×s | 417.91 | Joback Calculated Property |
| η | 0.0006197 | Pa×s | 456.36 | Joback Calculated Property |
| η | 0.0004366 | Pa×s | 494.80 | Joback Calculated Property |
| η | 0.0003236 | Pa×s | 533.24 | Joback Calculated Property |
| η | 0.0002496 | Pa×s | 571.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-BROMOISOBUTYROPHENONE.
Sources
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