- InChI
- InChI=1S/C9H11Br/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3
- InChI Key
- LECYCYNAEJDSIL-UHFFFAOYSA-N
- Formula
- C9H11Br
- SMILES
- CC(C)c1ccccc1Br
- Molecular Weight1
- 199.09
- CAS
- 7073-94-1
- Other Names
-
- Cumene, o-bromo-
- o-Bromocumene
- o-Isopropylphenyl bromide
- 1-Bromo-2-isopropylbenzene
- 2-Bromoisopropylbenzene
- 2-Isopropylbromobenzene
- 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).
- 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° | 139.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 17.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.61 | kJ/mol | Joback Calculated Property |
| log10WS | -3.82 | Crippen 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 | 483.47 ± 0.30 | K | NIST |
| Tc | 733.98 | K | Joback Calculated Property |
| Tfus | 214.25 ± 0.05 | K | NIST |
| Vc | 0.487 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [254.97; 322.39] | J/mol×K | [502.70; 733.98] | 
|
| Cp,gas | 254.97 | J/mol×K | 502.70 | Joback Calculated Property |
| Cp,gas | 268.23 | J/mol×K | 541.25 | Joback Calculated Property |
| Cp,gas | 280.63 | J/mol×K | 579.79 | Joback Calculated Property |
| Cp,gas | 292.20 | J/mol×K | 618.34 | Joback Calculated Property |
| Cp,gas | 302.99 | J/mol×K | 656.89 | Joback Calculated Property |
| Cp,gas | 313.04 | J/mol×K | 695.44 | Joback Calculated Property |
| Cp,gas | 322.39 | J/mol×K | 733.98 | Joback Calculated Property |
| η | [0.0002557; 0.0028478] | Pa×s | [274.93; 502.70] |
|
| η | 0.0028478 | Pa×s | 274.93 | Joback Calculated Property |
| η | 0.0014935 | Pa×s | 312.89 | Joback Calculated Property |
| η | 0.0009006 | Pa×s | 350.85 | Joback Calculated Property |
| η | 0.0005995 | Pa×s | 388.81 | Joback Calculated Property |
| η | 0.0004290 | Pa×s | 426.78 | Joback Calculated Property |
| η | 0.0003242 | Pa×s | 464.74 | Joback Calculated Property |
| η | 0.0002557 | Pa×s | 502.70 | Joback Calculated Property |
| ΔvapH | [48.40; 49.80] | kJ/mol | [444.00; 453.00] |
|
| ΔvapH | 48.40 | kJ/mol | 444.00 | NIST |
| ΔvapH | 49.80 | kJ/mol | 453.00 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-2-(1-methylethyl)-.
Sources
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