- InChI
- InChI=1S/C7H4BrClO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
- InChI Key
- DENKGPBHLYFNGK-UHFFFAOYSA-N
- Formula
- C7H4BrClO
- SMILES
- O=C(Cl)c1ccc(Br)cc1
- Molecular Weight1
- 219.46
- CAS
- 586-75-4
- Other Names
-
- 4-Bromobenzoyl chloride
- p-Bromobenzoyl chloride
- p-Bromobenzoyl chloride, p-bromo-
- Benzoyl chloride, p-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° | -15.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -64.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.68 | kJ/mol | Joback Calculated Property |
| log10WS | -3.52 | Crippen Calculated Property | |
| logPoct/wat | 2.828 | Crippen Calculated Property | |
| McVol | 117.040 | ml/mol | McGowan Calculated Property |
| Pc | 4571.55 | kPa | Joback Calculated Property |
| Tboil | 519.20 | K | NIST |
| Tc | 797.84 | K | Joback Calculated Property |
| Tfus | [310.70; 315.00] | K |
|
| Tfus | 310.70 ± 1.00 | K | NIST |
| Tfus | 315.00 ± 4.00 | K | NIST |
| Vc | 0.436 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.65; 245.35] | J/mol×K | [548.68; 797.84] |
|
| Cp,gas | 204.65 | J/mol×K | 548.68 | Joback Calculated Property |
| Cp,gas | 213.05 | J/mol×K | 590.21 | Joback Calculated Property |
| Cp,gas | 220.74 | J/mol×K | 631.73 | Joback Calculated Property |
| Cp,gas | 227.77 | J/mol×K | 673.26 | Joback Calculated Property |
| Cp,gas | 234.19 | J/mol×K | 714.78 | Joback Calculated Property |
| Cp,gas | 240.03 | J/mol×K | 756.31 | Joback Calculated Property |
| Cp,gas | 245.35 | J/mol×K | 797.84 | Joback Calculated Property |
| η | [0.0003415; 0.0019626] | Pa×s | [347.24; 548.68] |
|
| η | 0.0019626 | Pa×s | 347.24 | Joback Calculated Property |
| η | 0.0012896 | Pa×s | 380.81 | Joback Calculated Property |
| η | 0.0009070 | Pa×s | 414.39 | Joback Calculated Property |
| η | 0.0006725 | Pa×s | 447.96 | Joback Calculated Property |
| η | 0.0005199 | Pa×s | 481.53 | Joback Calculated Property |
| η | 0.0004156 | Pa×s | 515.11 | Joback Calculated Property |
| η | 0.0003415 | Pa×s | 548.68 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 447.20 | K | 13.60 | NIST |
Similar Compounds
Find more compounds similar to Benzoyl chloride, 4-bromo-.
Sources
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