- InChI
- InChI=1S/C9H11Br/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3
- InChI Key
- MOZHUOIQYVYEPN-UHFFFAOYSA-N
- Formula
- C9H11Br
- SMILES
- CC(C)c1ccc(Br)cc1
- Molecular Weight1
- 199.09
- CAS
- 586-61-8
- Other Names
-
- 1-Bromo-4-isopropylbenzene
- 2-(4-Bromophenyl)propane
- 2-(p-Bromophenyl)propane
- 4-Bromocumene
- 4-Bromoisopropylbenzene
- 4-Isopropylbromobenzene
- Cumene, p-bromo-
- p-Bromocumene
- p-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).
- 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).
- 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 | 0.3516 | Relay (1.0) Calculated Property | |
| ΔfG° | 139.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 18.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.572 | Crippen Calculated Property | |
| McVol | 131.410 | ml/mol | McGowan Calculated Property |
| Pc | 3505.43 | kPa | Joback Calculated Property |
| Tboil | [491.90; 491.92] | K |
|
| Tboil | 491.90 | K | NIST |
| Tboil | 491.92 ± 0.30 | K | NIST |
| Tc | 707.08 | K | Relay (1.0) Calculated Property |
| Tfus | [250.69; 251.15] | K |
|
| Tfus | 251.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 250.80 ± 0.02 | K | NIST |
| Tfus | 250.69 ± 0.05 | K | NIST |
| Vc | 0.469 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [50.40; 51.10] | kJ/mol | [427.50; 458.00] |
|
| ΔvapH | 51.10 | kJ/mol | 427.50 | NIST |
| ΔvapH | 50.40 | kJ/mol | 458.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 370.70 | K | 0.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.37; 371.69] | 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 | -1.83900e+01 | |||
| Coefficient B | 7.64540e-01 | |||
| Coefficient C | -5.04560e-04 | |||
| Coefficient D | 1.30100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 155.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 229.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 259.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 285.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 308.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 327.82 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 344.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 359.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 371.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0047425; 0.0002398] | Pa×s | [250.88; 513.99] |
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 | -1.11812e+01 | |||
| Coefficient B | 1.46264e+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. | 250.88 | |||
| Temperature range, max. | 513.99 | |||
| η | 0.0047425 | Pa×s | 250.88 | Calculated Property |
| η | 0.0025808 | Pa×s | 280.11 | Calculated Property |
| η | 0.0015756 | Pa×s | 309.35 | Calculated Property |
| η | 0.0010475 | Pa×s | 338.58 | Calculated Property |
| η | 0.0007431 | Pa×s | 367.82 | Calculated Property |
| η | 0.0005545 | Pa×s | 397.05 | Calculated Property |
| η | 0.0004307 | Pa×s | 426.29 | Calculated Property |
| η | 0.0003456 | Pa×s | 455.52 | Calculated Property |
| η | 0.0002847 | Pa×s | 484.76 | Calculated Property |
| η | 0.0002398 | Pa×s | 513.99 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [362.48; 524.40] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41417e+01 | |||
| Coefficient B | -3.94280e+03 | |||
| Coefficient C | -7.78840e+01 | |||
| Temperature range, min. | 362.48 | |||
| Temperature range, max. | 524.40 | |||
| Pvap | 1.33 | kPa | 362.48 | Calculated Property |
| Pvap | 3.04 | kPa | 380.47 | Calculated Property |
| Pvap | 6.31 | kPa | 398.46 | Calculated Property |
| Pvap | 12.14 | kPa | 416.45 | Calculated Property |
| Pvap | 21.84 | kPa | 434.44 | Calculated Property |
| Pvap | 37.15 | kPa | 452.44 | Calculated Property |
| Pvap | 60.18 | kPa | 470.43 | Calculated Property |
| Pvap | 93.46 | kPa | 488.42 | Calculated Property |
| Pvap | 139.88 | kPa | 506.41 | Calculated Property |
| Pvap | 202.65 | kPa | 524.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-4-(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
- The Yaws Handbook of Vapor Pressure
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