- InChI
- InChI=1S/C2H2Br2Cl2/c3-1-2(4,5)6/h1H2
- InChI Key
- FIYBYNHDEOSJPL-UHFFFAOYSA-N
- Formula
- C2H2Br2Cl2
- SMILES
- ClC(Cl)(Br)CBr
- Molecular Weight1
- 256.75
- CAS
- 75-81-0
- Other Names
-
- Ethane, 1,2-dibromo-1,1-dichloro-
- 1,2-Dibromo-2,2-dichloroethane
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point 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 |
|---|---|---|---|
| ΔfH°gas | -68.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.71 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.908 | Crippen Calculated Property | |
| McVol | 98.520 | ml/mol | McGowan Calculated Property |
| Inp | 1072.00 | NIST | |
| Tboil | 449.23 | K | Relay (1.0) Calculated Property |
| Tfus | 206.30 ± 0.02 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 45.90 | kJ/mol | 436.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [101.23; 158.66] | 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 | 1.87610e+01 | |||
| Coefficient B | 4.09600e-01 | |||
| Coefficient C | -4.40400e-04 | |||
| Coefficient D | 1.70700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 101.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 116.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 127.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 136.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 142.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 147.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 150.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 153.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 155.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 158.66 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0389858; 0.0003934] | Pa×s | [206.30; 484.41] |
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 | -1.12499e+01 | |||
| Coefficient B | 1.65150e+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. | 206.30 | |||
| Temperature range, max. | 484.41 | |||
| η | 0.0389858 | Pa×s | 206.30 | Calculated Property |
| η | 0.0137401 | Pa×s | 237.20 | Calculated Property |
| η | 0.0061585 | Pa×s | 268.10 | Calculated Property |
| η | 0.0032584 | Pa×s | 299.00 | Calculated Property |
| η | 0.0019423 | Pa×s | 329.90 | Calculated Property |
| η | 0.0012651 | Pa×s | 360.81 | Calculated Property |
| η | 0.0008816 | Pa×s | 391.71 | Calculated Property |
| η | 0.0006478 | Pa×s | 422.61 | Calculated Property |
| η | 0.0004963 | Pa×s | 453.51 | Calculated Property |
| η | 0.0003934 | Pa×s | 484.41 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Dibromo-1,1-dichloroethane.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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