- 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
-
- Styrene, «alpha»-bromo-
- «alpha»-Bromostyrene
- 1-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° | 50.76 | 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 | 701.73 | K | Relay (1.0) Calculated Property |
| Tfus | 287.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.404 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.98; 252.92] | J/mol×K | [471.84; 710.60] | 
|
| Cp,gas | 195.98 | J/mol×K | 471.84 | Joback Calculated Property |
| Cp,gas | 207.56 | J/mol×K | 511.63 | Joback Calculated Property |
| Cp,gas | 218.21 | J/mol×K | 551.43 | Joback Calculated Property |
| Cp,gas | 228.02 | J/mol×K | 591.22 | Joback Calculated Property |
| Cp,gas | 237.03 | J/mol×K | 631.01 | Joback Calculated Property |
| Cp,gas | 245.31 | J/mol×K | 670.81 | Joback Calculated Property |
| Cp,gas | 252.92 | J/mol×K | 710.60 | Joback 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 |
Similar Compounds
Find more compounds similar to Benzene, (1-bromoethenyl)-.
Sources
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