- InChI
- InChI=1S/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
- InChI Key
- URFPRAHGGBYNPW-UHFFFAOYSA-N
- Formula
- C8H9Br
- SMILES
- CCc1ccc(Br)cc1
- Molecular Weight1
- 185.06
- CAS
- 1585-07-5
- Other Names
-
- 1-Bromo-4-ethylbenzene
- 4-Ethylbromobenzene
- p-Bromoethylbenzene
- p-Ethylbromobenzene
- 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).
- Tboil : Normal Boiling Point Temperature (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 | 0.3523 | Relay (1.0) Calculated Property | |
| ΔfG° | 133.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 49.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.012 | Crippen Calculated Property | |
| McVol | 117.320 | ml/mol | McGowan Calculated Property |
| Pc | 3901.37 | kPa | Joback Calculated Property |
| Tboil | [477.20; 478.22] | K |
|
| Tboil | 477.20 | K | NIST |
| Tboil | 478.22 ± 0.07 | K | NIST |
| Tc | 687.77 | K | Relay (1.0) Calculated Property |
| Tfus | 229.68 ± 0.05 | K | NIST |
| Vc | 0.426 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.97; 272.56] | J/mol×K | [480.26; 710.10] |
|
| Cp,gas | 212.97 | J/mol×K | 480.26 | Joback Calculated Property |
| Cp,gas | 224.69 | J/mol×K | 518.57 | Joback Calculated Property |
| Cp,gas | 235.65 | J/mol×K | 556.87 | Joback Calculated Property |
| Cp,gas | 245.87 | J/mol×K | 595.18 | Joback Calculated Property |
| Cp,gas | 255.40 | J/mol×K | 633.48 | Joback Calculated Property |
| Cp,gas | 264.29 | J/mol×K | 671.79 | Joback Calculated Property |
| Cp,gas | 272.56 | J/mol×K | 710.10 | Joback Calculated Property |
| η | [0.0002886; 0.0021418] | Pa×s | [278.66; 480.26] |
|
| η | 0.0021418 | Pa×s | 278.66 | Joback Calculated Property |
| η | 0.0012813 | Pa×s | 312.26 | Joback Calculated Property |
| η | 0.0008469 | Pa×s | 345.86 | Joback Calculated Property |
| η | 0.0006024 | Pa×s | 379.46 | Joback Calculated Property |
| η | 0.0004529 | Pa×s | 413.06 | Joback Calculated Property |
| η | 0.0003554 | Pa×s | 446.66 | Joback Calculated Property |
| η | 0.0002886 | Pa×s | 480.26 | Joback Calculated Property |
| ΔvapH | [46.20; 52.00] | kJ/mol | [391.00; 455.50] |
|
| ΔvapH | 52.00 | kJ/mol | 391.00 | NIST |
| ΔvapH | 46.20 | kJ/mol | 413.00 | NIST |
| ΔvapH | 49.40 | kJ/mol | 455.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [350.72; 509.02] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41003e+01 | |||
| Coefficient B | -3.82504e+03 | |||
| Coefficient C | -7.37980e+01 | |||
| Temperature range, min. | 350.72 | |||
| Temperature range, max. | 509.02 | |||
| Pvap | 1.33 | kPa | 350.72 | Calculated Property |
| Pvap | 3.04 | kPa | 368.31 | Calculated Property |
| Pvap | 6.32 | kPa | 385.90 | Calculated Property |
| Pvap | 12.16 | kPa | 403.49 | Calculated Property |
| Pvap | 21.89 | kPa | 421.08 | Calculated Property |
| Pvap | 37.22 | kPa | 438.66 | Calculated Property |
| Pvap | 60.28 | kPa | 456.25 | Calculated Property |
| Pvap | 93.57 | kPa | 473.84 | Calculated Property |
| Pvap | 139.97 | kPa | 491.43 | Calculated Property |
| Pvap | 202.67 | kPa | 509.02 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-4-ethyl-.
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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