- InChI
- InChI=1S/C13H11Br/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
- InChI Key
- NNEOYCMCJMLRSD-UHFFFAOYSA-N
- Formula
- C13H11Br
- SMILES
- Brc1ccc(Cc2ccccc2)cc1
- Molecular Weight1
- 247.13
- CAS
- 2116-36-1
- 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 | 0.4411 | Relay (1.0) Calculated Property | |
| ΔfG° | 288.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 217.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.040 | Crippen Calculated Property | |
| McVol | 164.010 | ml/mol | McGowan Calculated Property |
| Pc | 3265.31 | kPa | Joback Calculated Property |
| Tboil | 597.47 | K | Relay (1.0) Calculated Property |
| Tc | 820.16 | K | Relay (1.0) Calculated Property |
| Tfus | 297.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.599 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.28; 458.99] | 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 | -5.42490e+01 | |||
| Coefficient B | 1.05970e+00 | |||
| Coefficient C | -7.50160e-04 | |||
| Coefficient D | 2.03700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 183.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 235.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 281.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 320.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 354.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 382.52 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 406.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 426.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 444.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 458.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016055; 0.0001963] | Pa×s | [361.43; 616.68] |
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 | -1.15111e+01 | |||
| Coefficient B | 1.83488e+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. | 361.43 | |||
| Temperature range, max. | 616.68 | |||
| η | 0.0016055 | Pa×s | 361.43 | Calculated Property |
| η | 0.0011096 | Pa×s | 389.79 | Calculated Property |
| η | 0.0008063 | Pa×s | 418.15 | Calculated Property |
| η | 0.0006102 | Pa×s | 446.51 | Calculated Property |
| η | 0.0004774 | Pa×s | 474.87 | Calculated Property |
| η | 0.0003840 | Pa×s | 503.24 | Calculated Property |
| η | 0.0003161 | Pa×s | 531.60 | Calculated Property |
| η | 0.0002654 | Pa×s | 559.96 | Calculated Property |
| η | 0.0002266 | Pa×s | 588.32 | Calculated Property |
| η | 0.0001963 | Pa×s | 616.68 | Calculated Property |
Similar Compounds
Find more compounds similar to Methane, (p-bromophenyl)phenyl-.
Sources
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