- InChI
- InChI=1S/C9H9BrO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
- InChI Key
- UOMOSYFPKGQIKI-UHFFFAOYSA-N
- Formula
- C9H9BrO
- SMILES
- CCC(=O)c1ccc(Br)cc1
- Molecular Weight1
- 213.07
- CAS
- 10342-83-3
- Other Names
-
- Propiophenone, 4'-bromo-
- p-Bromopropiophenone
- 4'-Bromopropiophenone
- 4-Bromopropiophenone
- 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° | 13.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -90.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.75 | kJ/mol | Joback Calculated Property |
| log10WS | -3.71 | Crippen Calculated Property | |
| logPoct/wat | 3.042 | Crippen Calculated Property | |
| McVol | 132.980 | ml/mol | McGowan Calculated Property |
| Pc | 3745.38 | kPa | Joback Calculated Property |
| Tboil | 557.01 | K | Joback Calculated Property |
| Tc | 791.91 | K | Joback Calculated Property |
| Tfus | 339.86 | K | Joback Calculated Property |
| Vc | 0.499 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.87; 326.92] | J/mol×K | [557.01; 791.91] | 
|
| Cp,gas | 268.87 | J/mol×K | 557.01 | Joback Calculated Property |
| Cp,gas | 280.43 | J/mol×K | 596.16 | Joback Calculated Property |
| Cp,gas | 291.18 | J/mol×K | 635.31 | Joback Calculated Property |
| Cp,gas | 301.16 | J/mol×K | 674.46 | Joback Calculated Property |
| Cp,gas | 310.41 | J/mol×K | 713.61 | Joback Calculated Property |
| Cp,gas | 318.99 | J/mol×K | 752.76 | Joback Calculated Property |
| Cp,gas | 326.92 | J/mol×K | 791.91 | Joback Calculated Property |
| η | [0.0002945; 0.0020020] | Pa×s | [339.86; 557.01] |
|
| η | 0.0020020 | Pa×s | 339.86 | Joback Calculated Property |
| η | 0.0012473 | Pa×s | 376.05 | Joback Calculated Property |
| η | 0.0008444 | Pa×s | 412.24 | Joback Calculated Property |
| η | 0.0006088 | Pa×s | 448.44 | Joback Calculated Property |
| η | 0.0004609 | Pa×s | 484.63 | Joback Calculated Property |
| η | 0.0003627 | Pa×s | 520.82 | Joback Calculated Property |
| η | 0.0002945 | Pa×s | 557.01 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [412.20; 442.20] | K | [1.90; 2.00] |
|
| Tboilr | 412.20 | K | 1.90 | NIST |
| Tboilr | 442.20 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to 1-Propanone, 1-(4-bromophenyl)-.
Sources
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