- InChI
- InChI=1S/C11H13BrO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3
- InChI Key
- STYJKBMRWQQJIS-UHFFFAOYSA-N
- Formula
- C11H13BrO
- SMILES
- CCCCC(=O)c1ccc(Br)cc1
- Molecular Weight1
- 241.12
- CAS
- 7295-44-5
- Other Names
-
- p-Bromophenyl butyl ketone
- 1-(4-Bromophenyl)-1-pentanone
- p-Bromovalerophenone
- 4'-Bromovalerophenone
- Valerophenone, 4'-bromo-
- 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° | 29.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.20 | kJ/mol | Joback Calculated Property |
| log10WS | -4.55 | Crippen Calculated Property | |
| logPoct/wat | 3.822 | Crippen Calculated Property | |
| McVol | 161.160 | ml/mol | McGowan Calculated Property |
| Pc | 2999.15 | kPa | Joback Calculated Property |
| Tboil | 602.77 | K | Joback Calculated Property |
| Tc | 828.66 | K | Joback Calculated Property |
| Tfus | 362.40 | K | Joback Calculated Property |
| Vc | 0.612 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.69; 428.28] | J/mol×K | [602.77; 828.66] | 
|
| Cp,gas | 360.69 | J/mol×K | 602.77 | Joback Calculated Property |
| Cp,gas | 374.02 | J/mol×K | 640.42 | Joback Calculated Property |
| Cp,gas | 386.45 | J/mol×K | 678.07 | Joback Calculated Property |
| Cp,gas | 398.05 | J/mol×K | 715.71 | Joback Calculated Property |
| Cp,gas | 408.86 | J/mol×K | 753.36 | Joback Calculated Property |
| Cp,gas | 418.92 | J/mol×K | 791.01 | Joback Calculated Property |
| Cp,gas | 428.28 | J/mol×K | 828.66 | Joback Calculated Property |
| η | [0.0002436; 0.0018845] | Pa×s | [362.40; 602.77] |
|
| η | 0.0018845 | Pa×s | 362.40 | Joback Calculated Property |
| η | 0.0011309 | Pa×s | 402.46 | Joback Calculated Property |
| η | 0.0007443 | Pa×s | 442.52 | Joback Calculated Property |
| η | 0.0005252 | Pa×s | 482.59 | Joback Calculated Property |
| η | 0.0003909 | Pa×s | 522.65 | Joback Calculated Property |
| η | 0.0003034 | Pa×s | 562.71 | Joback Calculated Property |
| η | 0.0002436 | Pa×s | 602.77 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 441.70 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 1-Pentanone, 1-(4-bromophenyl)-.
Sources
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