- 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
- 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° | 56.22 | 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; 1219.00] |
|
|
| Inp | 1219.00 | NIST | |
| Inp | 1219.00 | NIST | |
| Tboil | 493.70 | K | NIST |
| Tc | 706.29 | 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 |
|---|---|---|---|---|
| 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 |
|---|---|---|---|---|
| Cp,gas | [131.92; 322.60] | 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 | -3.00980e+01 | |||
| Coefficient B | 7.23100e-01 | |||
| Coefficient C | -5.14000e-04 | |||
| Coefficient D | 1.43600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 131.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 167.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 198.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 225.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 248.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 268.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 285.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 299.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 311.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 322.60 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0095286; 0.0002716] | Pa×s | [217.22; 492.83] |
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 | -1.10153e+01 | |||
| Coefficient B | 1.38192e+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. | 217.22 | |||
| Temperature range, max. | 492.83 | |||
| η | 0.0095286 | Pa×s | 217.22 | Calculated Property |
| η | 0.0043416 | Pa×s | 247.84 | Calculated Property |
| η | 0.0023515 | Pa×s | 278.47 | Calculated Property |
| η | 0.0014382 | Pa×s | 309.09 | Calculated Property |
| η | 0.0009611 | Pa×s | 339.71 | Calculated Property |
| η | 0.0006866 | Pa×s | 370.34 | Calculated Property |
| η | 0.0005163 | Pa×s | 400.96 | Calculated Property |
| η | 0.0004043 | Pa×s | 431.58 | Calculated Property |
| η | 0.0003270 | Pa×s | 462.21 | Calculated Property |
| η | 0.0002716 | Pa×s | 492.83 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [362.72; 500.03] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 |
| Pvap | [6.64; 105.13] | kPa | [400.60; 490.33] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.62776e+01 | |||
| Coefficient B | -5.43196e+03 | |||
| Coefficient C | -2.29600e+01 | |||
| Reference | McDonald, Shrader, et al., 1959, 2 | |||
| Temperature range, min. | 400.60 | |||
| Temperature range, max. | 490.33 | |||
| Pvap | 6.64 | kPa | 400.60 | Calculated Property |
| Pvap | 9.62 | kPa | 410.57 | Calculated Property |
| Pvap | 13.67 | kPa | 420.54 | Calculated Property |
| Pvap | 19.09 | kPa | 430.51 | Calculated Property |
| Pvap | 26.25 | kPa | 440.48 | Calculated Property |
| Pvap | 35.55 | kPa | 450.45 | Calculated Property |
| Pvap | 47.49 | kPa | 460.42 | Calculated Property |
| Pvap | 62.63 | kPa | 470.39 | Calculated Property |
| Pvap | 81.60 | kPa | 480.36 | Calculated Property |
| Pvap | 105.13 | kPa | 490.33 | Calculated Property |
| Pvap | [6.64; 105.13] | kPa | [400.60; 490.33] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.62776e+01 | |||
| Coefficient B | -5.43196e+03 | |||
| Coefficient C | -2.29600e+01 | |||
| Reference | McDonald, Shrader, et al., 1959 | |||
| Temperature range, min. | 400.60 | |||
| Temperature range, max. | 490.33 | |||
| Pvap | 6.64 | kPa | 400.60 | Calculated Property |
| Pvap | 9.62 | kPa | 410.57 | Calculated Property |
| Pvap | 13.67 | kPa | 420.54 | Calculated Property |
| Pvap | 19.09 | kPa | 430.51 | Calculated Property |
| Pvap | 26.25 | kPa | 440.48 | Calculated Property |
| Pvap | 35.55 | kPa | 450.45 | Calculated Property |
| Pvap | 47.49 | kPa | 460.42 | Calculated Property |
| Pvap | 62.63 | kPa | 470.39 | Calculated Property |
| Pvap | 81.60 | kPa | 480.36 | Calculated Property |
| Pvap | 105.13 | kPa | 490.33 | 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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