- InChI
- InChI=1S/C8H9BrO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
- InChI Key
- PMOSJSPFNDUAFY-UHFFFAOYSA-N
- Formula
- C8H9BrO
- SMILES
- OCCc1ccc(Br)cc1
- Molecular Weight1
- 201.06
- CAS
- 4654-39-1
- Other Names
-
- Phenethyl alcohol, p-bromo-
- 4-Bromo-phenethyl alcohol
- 2-(4-Bromophenyl)ethanol
- p-Bromophenethyl alcohol
- 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).
- 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).
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -3.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -109.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.45 | kJ/mol | Joback Calculated Property |
| log10WS | -2.70 | Crippen Calculated Property | |
| logPoct/wat | 1.984 | Crippen Calculated Property | |
| McVol | 123.190 | ml/mol | McGowan Calculated Property |
| Pc | 4391.59 | kPa | Joback Calculated Property |
| I | [2546.00; 2546.00] |
|
|
| I | 2546.00 | NIST | |
| I | 2546.00 | NIST | |
| Tboil | 572.44 | K | Joback Calculated Property |
| Tc | 784.97 | K | Joback Calculated Property |
| Tfus | 339.48 | K | Joback Calculated Property |
| Vc | 0.457 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.51; 305.10] | J/mol×K | [572.44; 784.97] |
|
| Cp,gas | 256.51 | J/mol×K | 572.44 | Joback Calculated Property |
| Cp,gas | 266.02 | J/mol×K | 607.86 | Joback Calculated Property |
| Cp,gas | 274.92 | J/mol×K | 643.28 | Joback Calculated Property |
| Cp,gas | 283.24 | J/mol×K | 678.71 | Joback Calculated Property |
| Cp,gas | 291.02 | J/mol×K | 714.13 | Joback Calculated Property |
| Cp,gas | 298.30 | J/mol×K | 749.55 | Joback Calculated Property |
| Cp,gas | 305.10 | J/mol×K | 784.97 | Joback Calculated Property |
| η | [0.0001178; 0.0045605] | Pa×s | [339.48; 572.44] |
|
| η | 0.0045605 | Pa×s | 339.48 | Joback Calculated Property |
| η | 0.0018135 | Pa×s | 378.31 | Joback Calculated Property |
| η | 0.0008562 | Pa×s | 417.13 | Joback Calculated Property |
| η | 0.0004594 | Pa×s | 455.96 | Joback Calculated Property |
| η | 0.0002718 | Pa×s | 494.79 | Joback Calculated Property |
| η | 0.0001735 | Pa×s | 533.61 | Joback Calculated Property |
| η | 0.0001178 | Pa×s | 572.44 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 411.20 | K | 1.00 | NIST |
Similar Compounds
Find more compounds similar to Benzeneethanol, 4-bromo-.
Sources
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