- InChI
- InChI=1S/C2H2Br2/c3-1-2-4/h1-2H
- InChI Key
- UWTUEMKLYAGTNQ-UHFFFAOYSA-N
- Formula
- C2H2Br2
- SMILES
- BrC=CBr
- Molecular Weight1
- 185.84
- CAS
- 540-49-8
- Other Names
-
- 1,2-Dibromoethene
- 2-Bromovinyl bromide
- Acetylene dibromide
- Ethene, 1,2-dibromo-
- Ethylene, 1,2-dibromo-
- NSC 8744
- s-Dibromoethylene
- sym-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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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 | 9.36 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.247 | Crippen Calculated Property | |
| McVol | 69.740 | ml/mol | McGowan Calculated Property |
| Tboil | 385.00 ± 2.00 | K | NIST |
| Tfus | [220.15; 283.00] | K |
|
| Tfus | 220.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 283.00 ± 1.50 | K | NIST |
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.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 383.20 | K | 101.00 | 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 | [0.0016867; 0.0003134] | Pa×s | [251.57; 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 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 251.57 | |||
| Temperature range, max. | 423.04 | |||
| η | 0.0016867 | Pa×s | 251.57 | Calculated Property |
| η | 0.0012592 | Pa×s | 270.63 | Calculated Property |
| η | 0.0009769 | Pa×s | 289.68 | Calculated Property |
| η | 0.0007820 | Pa×s | 308.73 | Calculated Property |
| η | 0.0006424 | Pa×s | 327.78 | Calculated Property |
| η | 0.0005392 | Pa×s | 346.84 | Calculated Property |
| η | 0.0004610 | Pa×s | 365.89 | Calculated Property |
| η | 0.0004002 | Pa×s | 384.94 | Calculated Property |
| η | 0.0003521 | Pa×s | 403.99 | Calculated Property |
| η | 0.0003134 | Pa×s | 423.04 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Dibromoethylene.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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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