- InChI
- InChI=1S/C2H3Br/c1-2-3/h2H,1H2
- InChI Key
- INLLPKCGLOXCIV-UHFFFAOYSA-N
- Formula
- C2H3Br
- SMILES
- C=CBr
- Molecular Weight1
- 106.95
- CAS
- 593-60-2
- Other Names
-
- Bromoethene
- Bromoethylene
- Bromure de vinyle
- C2H3Br
- Ethene, bromo-
- Ethylene, bromo-
- NCI-C50373
- Saytex VBR
- UN 1085
- Vinylbromid
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.0910 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ΔfH°gas | [73.68; 79.20] | kJ/mol |
|
| ΔfH°gas | 73.68 ± 0.62 | kJ/mol | Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value |
| ΔfH°gas | 79.20 ± 1.90 | kJ/mol | NIST |
| ΔfusH° | 4.94 | kJ/mol | Joback Calculated Property |
| IE | [9.80; 9.90] | eV |
|
| IE | 9.82 ± 0.03 | eV | NIST |
| IE | 9.90 ± 0.01 | eV | NIST |
| IE | 9.80 | eV | NIST |
| IE | 9.83 | eV | NIST |
| IE | 9.80 ± 0.02 | eV | NIST |
| IE | 9.82 ± 0.02 | eV | NIST |
| IE | 9.80 ± 0.01 | eV | NIST |
| IE | 9.80 | eV | NIST |
| IE | 9.90 | eV | NIST |
| IE | 9.90 | eV | NIST |
| IE | 9.87 | eV | NIST |
| logPoct/wat | 1.525 | Crippen Calculated Property | |
| McVol | 52.240 | ml/mol | McGowan Calculated Property |
| Pc | 4600.15 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Inp | [450.00; 450.00] |
|
|
| Inp | 450.00 | NIST | |
| Inp | 450.00 | NIST | |
| Tboil | [289.00; 289.00] | K |
|
| Tboil | 289.00 | K | NIST |
| Tboil | 289.00 | K | NIST |
| Tc | 474.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tfus | [133.61; 134.75] | K |
|
| Tfus | 134.75 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 133.61 ± 0.02 | K | NIST |
| Vc | 0.197 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, 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 |
|---|---|---|---|---|
| Cp,liquid | [107.50; 107.90] | J/mol×K | [288.00; 288.00] |
|
| Cp,liquid | 107.50 | J/mol×K | 288.00 | NIST |
| Cp,liquid | 107.90 | J/mol×K | 288.00 | NIST |
| ΔvapH | [24.80; 27.30] | kJ/mol | [237.50; 271.50] |
|
| ΔvapH | 24.80 | kJ/mol | 237.50 | NIST |
| ΔvapH | 26.90 | kJ/mol | 246.00 | NIST |
| ΔvapH | 26.90 | kJ/mol | 246.00 | NIST |
| ΔvapH | 27.30 | kJ/mol | 271.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 289.20 | K | 100.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [52.09; 103.07] | 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 | 6.27000e+00 | |||
| Coefficient B | 2.12000e-01 | |||
| Coefficient C | -1.79300e-04 | |||
| Coefficient D | 6.41000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 52.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 61.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 69.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 76.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 82.51 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 87.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 91.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 95.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 99.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 103.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0067732; 0.0002792] | Pa×s | [134.18; 331.80] |
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 | -1.03486e+01 | |||
| Coefficient B | 7.18380e+02 | |||
| 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. | 134.18 | |||
| Temperature range, max. | 331.80 | |||
| η | 0.0067732 | Pa×s | 134.18 | Calculated Property |
| η | 0.0031901 | Pa×s | 156.14 | Calculated Property |
| η | 0.0018090 | Pa×s | 178.10 | Calculated Property |
| η | 0.0011619 | Pa×s | 200.05 | Calculated Property |
| η | 0.0008146 | Pa×s | 222.01 | Calculated Property |
| η | 0.0006088 | Pa×s | 243.97 | Calculated Property |
| η | 0.0004774 | Pa×s | 265.93 | Calculated Property |
| η | 0.0003885 | Pa×s | 287.88 | Calculated Property |
| η | 0.0003255 | Pa×s | 309.84 | Calculated Property |
| η | 0.0002792 | Pa×s | 331.80 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [4.19e-04; 6245.88] | kPa | [135.35; 473.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 4.54408e+01 | |||
| Coefficient B | -3.96182e+03 | |||
| Coefficient C | -4.91163e+00 | |||
| Coefficient D | 8.60843e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 135.35 | |||
| Temperature range, max. | 473.00 | |||
| Pvap | 4.19e-04 | kPa | 135.35 | Calculated Property |
| Pvap | 0.08 | kPa | 172.87 | Calculated Property |
| Pvap | 2.05 | kPa | 210.38 | Calculated Property |
| Pvap | 18.36 | kPa | 247.90 | Calculated Property |
| Pvap | 89.23 | kPa | 285.42 | Calculated Property |
| Pvap | 296.99 | kPa | 322.93 | Calculated Property |
| Pvap | 773.93 | kPa | 360.45 | Calculated Property |
| Pvap | 1713.44 | kPa | 397.97 | Calculated Property |
| Pvap | 3396.78 | kPa | 435.48 | Calculated Property |
| Pvap | 6245.88 | kPa | 473.00 | Calculated Property |
| Pvap | [0.29; 102.80] | kPa | [185.70; 289.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.46645e+01 | |||
| Coefficient B | -2.80756e+03 | |||
| Coefficient C | -9.12900e+00 | |||
| Reference | Guyer, Sch«65533»tze, et al., 1937 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 185.70 | |||
| Temperature range, max. | 289.00 | |||
| Pvap | 0.29 | kPa | 185.70 | Calculated Property |
| Pvap | 0.77 | kPa | 197.18 | Calculated Property |
| Pvap | 1.81 | kPa | 208.66 | Calculated Property |
| Pvap | 3.89 | kPa | 220.13 | Calculated Property |
| Pvap | 7.73 | kPa | 231.61 | Calculated Property |
| Pvap | 14.36 | kPa | 243.09 | Calculated Property |
| Pvap | 25.17 | kPa | 254.57 | Calculated Property |
| Pvap | 41.95 | kPa | 266.04 | Calculated Property |
| Pvap | 66.94 | kPa | 277.52 | Calculated Property |
| Pvap | 102.80 | kPa | 289.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Vinyl bromide.
Sources
- KDB Vapor Pressure Data
- Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
- 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).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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