- InChI
- InChI=1S/C8H9Br/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
- InChI Key
- HVRUGFJYCAFAAN-UHFFFAOYSA-N
- Formula
- C8H9Br
- SMILES
- CCc1ccccc1Br
- Molecular Weight1
- 185.06
- CAS
- 1973-22-4
- Other Names
-
- 1-Bromo-2-ethylbenzene
- 1-Ethyl-2-bromobenzene
- 2-Bromo-1-ethylbenzene
- 2-Ethylbromobenzene
- o-Bromoethylbenzene
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 133.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 42.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.78 | kJ/mol | Joback Calculated Property |
| log10WS | -3.44 | Crippen Calculated Property | |
| logPoct/wat | 3.012 | Crippen Calculated Property | |
| McVol | 117.320 | ml/mol | McGowan Calculated Property |
| Pc | 3901.37 | kPa | Joback Calculated Property |
| Inp | [1166.00; 1166.00] |
|
|
| Inp | 1166.00 | NIST | |
| Inp | 1166.00 | NIST | |
| Tboil | [472.50; 474.65] | K |
|
| Tboil | 472.50 | K | NIST |
| Tboil | 474.65 ± 0.07 | K | NIST |
| Tc | 710.10 | K | Joback Calculated Property |
| Tfus | [205.61; 205.90] | K |
|
| Tfus | 205.90 ± 0.70 | K | NIST |
| Tfus | 205.61 ± 0.05 | K | NIST |
| Vc | 0.438 | m3/kmol | Joback 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 | 48.10 | kJ/mol | 445.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [346.96; 504.10] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40866e+01 | |||
| Coefficient B | -3.78741e+03 | |||
| Coefficient C | -7.24910e+01 | |||
| Temperature range, min. | 346.96 | |||
| Temperature range, max. | 504.10 | |||
| Pvap | 1.33 | kPa | 346.96 | Calculated Property |
| Pvap | 3.04 | kPa | 364.42 | Calculated Property |
| Pvap | 6.33 | kPa | 381.88 | Calculated Property |
| Pvap | 12.17 | kPa | 399.34 | Calculated Property |
| Pvap | 21.90 | kPa | 416.80 | Calculated Property |
| Pvap | 37.24 | kPa | 434.26 | Calculated Property |
| Pvap | 60.31 | kPa | 451.72 | Calculated Property |
| Pvap | 93.61 | kPa | 469.18 | Calculated Property |
| Pvap | 140.00 | kPa | 486.64 | Calculated Property |
| Pvap | 202.67 | kPa | 504.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-2-ethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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