- InChI
- InChI=1S/C9H9Br/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+
- InChI Key
- RUROFEVDCUGKHD-QPJJXVBHSA-N
- Formula
- C9H9Br
- SMILES
- BrCC=Cc1ccccc1
- Molecular Weight1
- 197.07
- CAS
- 4392-24-9
- Other Names
-
- 3-Bromo-1-phenyl propene-1
- Cinnamyl bromide
- [3-Bromo-1-propenyl]benzene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 143.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.095 | Crippen Calculated Property | |
| McVol | 127.110 | ml/mol | McGowan Calculated Property |
| Tboil | 519.90 | K | Relay (1.0) Calculated Property |
| Tfus | 294.21 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 376.20 | K | 2.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.13; 343.61] | 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 | -4.51890e+01 | |||
| Coefficient B | 8.38100e-01 | |||
| Coefficient C | -6.52200e-04 | |||
| Coefficient D | 2.02900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 139.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 178.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 212.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 241.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 265.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 286.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 303.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 318.61 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 331.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 343.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0027272; 0.0002187] | Pa×s | [272.33; 516.92] |
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 | -1.12374e+01 | |||
| Coefficient B | 1.45232e+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. | 272.33 | |||
| Temperature range, max. | 516.92 | |||
| η | 0.0027272 | Pa×s | 272.33 | Calculated Property |
| η | 0.0016810 | Pa×s | 299.51 | Calculated Property |
| η | 0.0011230 | Pa×s | 326.68 | Calculated Property |
| η | 0.0007982 | Pa×s | 353.86 | Calculated Property |
| η | 0.0005956 | Pa×s | 381.04 | Calculated Property |
| η | 0.0004621 | Pa×s | 408.21 | Calculated Property |
| η | 0.0003701 | Pa×s | 435.39 | Calculated Property |
| η | 0.0003042 | Pa×s | 462.57 | Calculated Property |
| η | 0.0002556 | Pa×s | 489.74 | Calculated Property |
| η | 0.0002187 | Pa×s | 516.92 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Bromo-1-phenyl-1-propene.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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