- InChI
- InChI=1S/C2H2BrCl/c3-1-2-4/h1-2H/b2-1+
- InChI Key
- LYFQYPSHMWBHFG-OWOJBTEDSA-N
- Formula
- C2H2BrCl
- SMILES
- ClC=CBr
- Molecular Weight1
- 141.39
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2561 | Relay (1.0) Calculated Property | |
| ΔfG° | 48.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 31.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.091 | Crippen Calculated Property | |
| McVol | 64.480 | ml/mol | McGowan Calculated Property |
| Pc | 5687.39 | kPa | Joback Calculated Property |
| Tboil | 352.60 | K | Relay (1.0) Calculated Property |
| Tc | 574.53 | K | Relay (1.0) Calculated Property |
| Tfus | 224.83 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, 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 | [61.30; 109.27] | 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 | 7.97000e+00 | |||
| Coefficient B | 2.58800e-01 | |||
| Coefficient C | -2.60600e-04 | |||
| Coefficient D | 1.03100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 61.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 71.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 79.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 86.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 91.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 95.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 99.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 102.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 105.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 109.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028552; 0.0002704] | Pa×s | [196.94; 392.72] |
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 | -1.05864e+01 | |||
| Coefficient B | 9.31100e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 196.94 | |||
| Temperature range, max. | 392.72 | |||
| η | 0.0028552 | Pa×s | 196.94 | Calculated Property |
| η | 0.0017840 | Pa×s | 218.69 | Calculated Property |
| η | 0.0012137 | Pa×s | 240.45 | Calculated Property |
| η | 0.0008802 | Pa×s | 262.20 | Calculated Property |
| η | 0.0006706 | Pa×s | 283.95 | Calculated Property |
| η | 0.0005310 | Pa×s | 305.70 | Calculated Property |
| η | 0.0004338 | Pa×s | 327.46 | Calculated Property |
| η | 0.0003634 | Pa×s | 349.21 | Calculated Property |
| η | 0.0003108 | Pa×s | 370.96 | Calculated Property |
| η | 0.0002704 | Pa×s | 392.72 | Calculated Property |
Similar Compounds
Find more compounds similar to (E)-1-bromo-2-chloroethene.
Sources
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