- InChI
- InChI=1S/C2H2BrClO/c3-1-2(4)5/h1H2
- InChI Key
- SYZRZLUNWVNNNV-UHFFFAOYSA-N
- Formula
- C2H2BrClO
- SMILES
- O=C(Cl)CBr
- Molecular Weight1
- 157.39
- Other Names
-
- Acetyl chloride, bromo-
- 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).
- IE : Ionization energy (eV).
- 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 | 0.4044 | Relay (1.0) Calculated Property | |
| ΔfG° | -160.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -204.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.02 | kJ/mol | Joback Calculated Property |
| IE | 10.57 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.147 | Crippen Calculated Property | |
| McVol | 70.350 | ml/mol | McGowan Calculated Property |
| Pc | 5782.94 | kPa | Joback Calculated Property |
| Tboil | [400.00; 400.20] | K |
|
| Tboil | 400.20 | K | NIST |
| Tboil | 400.00 ± 3.00 | K | NIST |
| Tc | 627.87 | K | Relay (1.0) Calculated Property |
| Tfus | 314.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.256 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of vaporization at standard conditions, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [76.23; 128.87] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.95110e+01 | |||
| Coefficient B | 2.10800e-01 | |||
| Coefficient C | -1.58100e-04 | |||
| Coefficient D | 4.66600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 76.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 86.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 95.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 102.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 108.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 114.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 118.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 122.61 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 125.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 128.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030973; 0.0004296] | Pa×s | [251.95; 430.26] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.05442e+01 | |||
| Coefficient B | 1.20105e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 251.95 | |||
| Temperature range, max. | 430.26 | |||
| η | 0.0030973 | Pa×s | 251.95 | Calculated Property |
| η | 0.0021880 | Pa×s | 271.76 | Calculated Property |
| η | 0.0016205 | Pa×s | 291.57 | Calculated Property |
| η | 0.0012469 | Pa×s | 311.39 | Calculated Property |
| η | 0.0009899 | Pa×s | 331.20 | Calculated Property |
| η | 0.0008067 | Pa×s | 351.01 | Calculated Property |
| η | 0.0006719 | Pa×s | 370.82 | Calculated Property |
| η | 0.0005701 | Pa×s | 390.63 | Calculated Property |
| η | 0.0004915 | Pa×s | 410.44 | Calculated Property |
| η | 0.0004296 | Pa×s | 430.26 | Calculated Property |
Similar Compounds
Find more compounds similar to BROMOACETYL CHLORIDE.
Sources
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