- InChI
- InChI=1S/C8H7Br/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H2
- InChI Key
- SRXJYTZCORKVNA-UHFFFAOYSA-N
- Formula
- C8H7Br
- SMILES
- C=C(Br)c1ccccc1
- Molecular Weight1
- 183.04
- CAS
- 98-81-7
- Other Names
-
- 1-Bromostyrene
- Styrene, «alpha»-bromo-
- «alpha»-Bromostyrene
- «alpha»-Bromostyrol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 | 0.3549 | Relay (1.0) Calculated Property | |
| ΔfG° | 222.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 185.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.052 | Crippen Calculated Property | |
| McVol | 113.020 | ml/mol | McGowan Calculated Property |
| Pc | 4222.04 | kPa | Joback Calculated Property |
| Tboil | 484.79 | K | Relay (1.0) Calculated Property |
| Tc | 703.74 | K | Relay (1.0) Calculated Property |
| Tfus | 229.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.404 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [341.70; 359.70] | K | [0.50; 1.90] |
|
| Tboilr | 341.70 | K | 0.50 | NIST |
| Tboilr | 354.50 ± 1.50 | K | 1.30 | NIST |
| Tboilr | 359.70 | K | 1.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [122.27; 293.82] | 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 | -3.27800e+01 | |||
| Coefficient B | 7.03000e-01 | |||
| Coefficient C | -5.39200e-04 | |||
| Coefficient D | 1.62800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 122.27 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 155.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 184.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 208.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 229.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 246.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 261.14 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 273.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 284.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 293.82 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1-bromoethenyl)-.
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)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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