- InChI
- InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1-
- InChI Key
- UWTUEMKLYAGTNQ-UPHRSURJSA-N
- Formula
- C2H2Br2
- SMILES
- BrC=CBr
- Molecular Weight1
- 185.84
- CAS
- 590-11-4
- Other Names
-
- (Z)-1,2-Dibromoethylene
- 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 a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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 | 58.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.71 | kJ/mol | Joback Calculated Property |
| IE | [9.32; 9.63] | eV |
|
| IE | 9.63 ± 0.01 | eV | NIST |
| IE | 9.32 ± 0.02 | eV | NIST |
| IE | 9.45 ± 0.02 | eV | NIST |
| IE | 9.45 | eV | NIST |
| IE | 9.63 | eV | NIST |
| logPoct/wat | 2.247 | Crippen Calculated Property | |
| McVol | 69.740 | ml/mol | McGowan Calculated Property |
| Inp | [758.00; 774.00] |
|
|
| Inp | 766.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 758.00 | NIST | |
| I | [1252.54; 1274.70] |
|
|
| I | 1266.33 | NIST | |
| I | 1274.70 | NIST | |
| I | 1252.54 | NIST | |
| I | 1266.33 | NIST | |
| Tboil | 380.03 | K | Relay (1.0) Calculated Property |
| Tfus | 282.10 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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 | 40.60 | kJ/mol | 325.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [61.88; 110.07] | 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 | 3.27000e+00 | |||
| Coefficient B | 2.90200e-01 | |||
| Coefficient C | -3.11600e-04 | |||
| Coefficient D | 1.28200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 61.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 72.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 81.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 87.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 92.69 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 96.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 100.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 103.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 106.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 110.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026536; 0.0003134] | Pa×s | [226.82; 423.04] |
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 | -1.05371e+01 | |||
| Coefficient B | 1.04456e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 226.82 | |||
| Temperature range, max. | 423.04 | |||
| η | 0.0026536 | Pa×s | 226.82 | Calculated Property |
| η | 0.0017719 | Pa×s | 248.62 | Calculated Property |
| η | 0.0012628 | Pa×s | 270.43 | Calculated Property |
| η | 0.0009466 | Pa×s | 292.23 | Calculated Property |
| η | 0.0007386 | Pa×s | 314.03 | Calculated Property |
| η | 0.0005951 | Pa×s | 335.83 | Calculated Property |
| η | 0.0004923 | Pa×s | 357.64 | Calculated Property |
| η | 0.0004163 | Pa×s | 379.44 | Calculated Property |
| η | 0.0003584 | Pa×s | 401.24 | Calculated Property |
| η | 0.0003134 | Pa×s | 423.04 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [2.76; 28.81] | kPa | [299.39; 350.79] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54342e+01 | |||
| Coefficient B | -3.81244e+03 | |||
| Coefficient C | -3.50190e+01 | |||
| Reference | Noyes, Noyes, et al., 1950 | |||
| Temperature range, min. | 299.39 | |||
| Temperature range, max. | 350.79 | |||
| Pvap | 2.76 | kPa | 299.39 | Calculated Property |
| Pvap | 3.74 | kPa | 305.10 | Calculated Property |
| Pvap | 5.01 | kPa | 310.81 | Calculated Property |
| Pvap | 6.63 | kPa | 316.52 | Calculated Property |
| Pvap | 8.67 | kPa | 322.23 | Calculated Property |
| Pvap | 11.24 | kPa | 327.95 | Calculated Property |
| Pvap | 14.41 | kPa | 333.66 | Calculated Property |
| Pvap | 18.31 | kPa | 339.37 | Calculated Property |
| Pvap | 23.07 | kPa | 345.08 | Calculated Property |
| Pvap | 28.81 | kPa | 350.79 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethene, 1,2-dibromo-, (Z)-.
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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