- InChI
- InChI=1S/C9H11Br/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
- InChI Key
- NVYOCAOZCSNIHR-UHFFFAOYSA-N
- Formula
- C9H11Br
- SMILES
- CC(Br)Cc1ccccc1
- Molecular Weight1
- 199.09
- CAS
- 2114-39-8
- Other Names
-
- (2-Bromopropyl)benzene
- .+/-.-2-Bromo-1-phenylpropane
- 1-Phenyl-2-bromopropane
- 2-Bromo-1-phenylpropane
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 149.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 28.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.95 | kJ/mol | Joback Calculated Property |
| log10WS | -3.24 | Crippen Calculated Property | |
| logPoct/wat | 3.013 | Crippen Calculated Property | |
| McVol | 131.410 | ml/mol | McGowan Calculated Property |
| Pc | 3568.53 | kPa | Joback Calculated Property |
| Tboil | 497.72 | K | Joback Calculated Property |
| Tc | 727.72 | K | Joback Calculated Property |
| Tfus | 262.41 | K | Joback Calculated Property |
| Vc | 0.487 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [254.95; 323.99] | J/mol×K | [497.72; 727.72] | 
|
| Cp,gas | 254.95 | J/mol×K | 497.72 | Joback Calculated Property |
| Cp,gas | 268.65 | J/mol×K | 536.05 | Joback Calculated Property |
| Cp,gas | 281.41 | J/mol×K | 574.39 | Joback Calculated Property |
| Cp,gas | 293.27 | J/mol×K | 612.72 | Joback Calculated Property |
| Cp,gas | 304.28 | J/mol×K | 651.05 | Joback Calculated Property |
| Cp,gas | 314.51 | J/mol×K | 689.39 | Joback Calculated Property |
| Cp,gas | 323.99 | J/mol×K | 727.72 | Joback Calculated Property |
| η | [0.0002656; 0.0040622] | Pa×s | [262.41; 497.72] |
|
| η | 0.0040622 | Pa×s | 262.41 | Joback Calculated Property |
| η | 0.0019186 | Pa×s | 301.63 | Joback Calculated Property |
| η | 0.0010769 | Pa×s | 340.85 | Joback Calculated Property |
| η | 0.0006810 | Pa×s | 380.07 | Joback Calculated Property |
| η | 0.0004692 | Pa×s | 419.28 | Joback Calculated Property |
| η | 0.0003445 | Pa×s | 458.50 | Joback Calculated Property |
| η | 0.0002656 | Pa×s | 497.72 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 381.20 | K | 2.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [363.36; 533.56] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.37293e+01 | |||
| Coefficient B | -3.83321e+03 | |||
| Coefficient C | -7.81910e+01 | |||
| Temperature range, min. | 363.36 | |||
| Temperature range, max. | 533.56 | |||
| Pvap | 1.33 | kPa | 363.36 | Calculated Property |
| Pvap | 3.08 | kPa | 382.27 | Calculated Property |
| Pvap | 6.43 | kPa | 401.18 | Calculated Property |
| Pvap | 12.40 | kPa | 420.09 | Calculated Property |
| Pvap | 22.32 | kPa | 439.00 | Calculated Property |
| Pvap | 37.89 | kPa | 457.92 | Calculated Property |
| Pvap | 61.16 | kPa | 476.83 | Calculated Property |
| Pvap | 94.54 | kPa | 495.74 | Calculated Property |
| Pvap | 140.72 | kPa | 514.65 | Calculated Property |
| Pvap | 202.66 | kPa | 533.56 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (2-bromopropyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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