- InChI
- InChI=1S/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
- InChI Key
- WMPPDTMATNBGJN-UHFFFAOYSA-N
- Formula
- C8H9Br
- SMILES
- BrCCc1ccccc1
- Molecular Weight1
- 185.06
- CAS
- 103-63-9
- Other Names
-
- (2-Bromoethyl)benzene
- 1-Bromo-2-phenylethane
- 1-Phenyl-2-bromoethane
- 2-Phenethyl bromide
- 2-Phenyl-1-bromoethane
- 2-Phenylethyl bromide
- NSC 33926
- Phenethyl bromide
- Phenylethyl bromide
- «beta»-Bromoethylbenzene
- «beta»-Phenethyl bromide
- «beta»-Phenylethyl bromide
- «beta»-Bromoethylbenzene
- «beta»-Phenethyl bromide
- «beta»-Phenylethyl bromide
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | 0.4435 | Relay (1.0) Calculated Property | |
| ΔfG° | 143.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 60.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 ± 0.10 | eV | NIST |
| log10WS | -2.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.624 | Crippen Calculated Property | |
| McVol | 117.320 | ml/mol | McGowan Calculated Property |
| Pc | 3975.52 | kPa | Joback Calculated Property |
| Inp | 1219.00 | NIST | |
| Tboil | 493.70 | K | NIST |
| Tc | 704.33 | K | Relay (1.0) Calculated Property |
| Tfus | 217.22 ± 0.05 | K | NIST |
| Vc | 0.416 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.89; 274.27] | J/mol×K | [475.28; 703.75] | 
|
| Cp,gas | 212.89 | J/mol×K | 475.28 | Joback Calculated Property |
| Cp,gas | 225.08 | J/mol×K | 513.36 | Joback Calculated Property |
| Cp,gas | 236.43 | J/mol×K | 551.44 | Joback Calculated Property |
| Cp,gas | 246.97 | J/mol×K | 589.51 | Joback Calculated Property |
| Cp,gas | 256.76 | J/mol×K | 627.59 | Joback Calculated Property |
| Cp,gas | 265.84 | J/mol×K | 665.67 | Joback Calculated Property |
| Cp,gas | 274.27 | J/mol×K | 703.75 | Joback Calculated Property |
| η | [0.0003012; 0.0029592] | Pa×s | [266.14; 475.28] |
|
| η | 0.0029592 | Pa×s | 266.14 | Joback Calculated Property |
| η | 0.0016219 | Pa×s | 301.00 | Joback Calculated Property |
| η | 0.0010071 | Pa×s | 335.85 | Joback Calculated Property |
| η | 0.0006840 | Pa×s | 370.71 | Joback Calculated Property |
| η | 0.0004965 | Pa×s | 405.57 | Joback Calculated Property |
| η | 0.0003791 | Pa×s | 440.42 | Joback Calculated Property |
| η | 0.0003012 | Pa×s | 475.28 | Joback Calculated Property |
| ΔvapH | 51.50 | kJ/mol | 374.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 490.70 | K | 97.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [362.72; 500.03] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.57301e+01 | |||
| Coefficient B | -4.39729e+03 | |||
| Coefficient C | -7.79680e+01 | |||
| Temperature range, min. | 362.72 | |||
| Temperature range, max. | 500.03 | |||
| Pvap | 1.33 | kPa | 362.72 | Calculated Property |
| Pvap | 2.92 | kPa | 377.98 | Calculated Property |
| Pvap | 5.94 | kPa | 393.23 | Calculated Property |
| Pvap | 11.31 | kPa | 408.49 | Calculated Property |
| Pvap | 20.35 | kPa | 423.75 | Calculated Property |
| Pvap | 34.83 | kPa | 439.00 | Calculated Property |
| Pvap | 57.07 | kPa | 454.26 | Calculated Property |
| Pvap | 89.98 | kPa | 469.52 | Calculated Property |
| Pvap | 137.11 | kPa | 484.77 | Calculated Property |
| Pvap | 202.66 | kPa | 500.03 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (2-bromoethyl)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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