- InChI
- InChI=1S/C9H11Br/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
- InChI Key
- XJWVCWQKZQENDS-UHFFFAOYSA-N
- Formula
- C9H11Br
- SMILES
- CC(CBr)c1ccccc1
- Molecular Weight1
- 199.09
- CAS
- 1459-00-3
- Other Names
-
- 1-Bromo-2-phenylpropane
- 2-Phenylpropyl bromide
- Cumene, «beta»-bromo-
- «beta»-Bromocumene
- «beta»-Bromoisopropylbenzene
- 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).
- 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).
- 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 | 0.4008 | Relay (1.0) Calculated Property | |
| ΔfG° | 149.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -0.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.185 | Crippen Calculated Property | |
| McVol | 131.410 | ml/mol | McGowan Calculated Property |
| Pc | 3568.53 | kPa | Joback Calculated Property |
| Tboil | 500.88 | K | Relay (1.0) Calculated Property |
| Tc | 716.59 | K | Relay (1.0) Calculated Property |
| Tfus | 213.85 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.454 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.82; 374.73] | 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 | -3.26890e+01 | |||
| Coefficient B | 8.24020e-01 | |||
| Coefficient C | -5.71600e-04 | |||
| Coefficient D | 1.55000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 152.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 230.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 261.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 288.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 311.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 330.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 347.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 362.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 374.73 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0150560; 0.0002474] | Pa×s | [213.85; 509.61] |
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 | -1.12752e+01 | |||
| Coefficient B | 1.51390e+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. | 213.85 | |||
| Temperature range, max. | 509.61 | |||
| η | 0.0150560 | Pa×s | 213.85 | Calculated Property |
| η | 0.0058639 | Pa×s | 246.71 | Calculated Property |
| η | 0.0028506 | Pa×s | 279.57 | Calculated Property |
| η | 0.0016128 | Pa×s | 312.44 | Calculated Property |
| η | 0.0010170 | Pa×s | 345.30 | Calculated Property |
| η | 0.0006948 | Pa×s | 378.16 | Calculated Property |
| η | 0.0005045 | Pa×s | 411.02 | Calculated Property |
| η | 0.0003841 | Pa×s | 443.88 | Calculated Property |
| η | 0.0003036 | Pa×s | 476.75 | Calculated Property |
| η | 0.0002474 | Pa×s | 509.61 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (2-bromo-1-methylethyl)-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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