- InChI
- InChI=1S/C8H9BrO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3
- InChI Key
- JVEQWIQHHWNMQX-UHFFFAOYSA-N
- Formula
- C8H9BrO
- SMILES
- CCOc1ccccc1Br
- Molecular Weight1
- 201.06
- CAS
- 583-19-7
- Other Names
-
- 2-bromophenetole
- 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).
- Inp : Non-polar retention indices.
- 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° | 28.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -89.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.19 | kJ/mol | Joback Calculated Property |
| log10WS | -3.17 | Crippen Calculated Property | |
| logPoct/wat | 2.848 | Crippen Calculated Property | |
| McVol | 123.190 | ml/mol | McGowan Calculated Property |
| Pc | 3819.82 | kPa | Joback Calculated Property |
| Inp | 1225.60 | NIST | |
| Tboil | 502.68 | K | Joback Calculated Property |
| Tc | 729.96 | K | Joback Calculated Property |
| Tfus | 300.89 | K | Joback Calculated Property |
| Vc | 0.456 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.74; 293.82] | J/mol×K | [502.68; 729.96] | 
|
| Cp,gas | 234.74 | J/mol×K | 502.68 | Joback Calculated Property |
| Cp,gas | 246.19 | J/mol×K | 540.56 | Joback Calculated Property |
| Cp,gas | 256.97 | J/mol×K | 578.44 | Joback Calculated Property |
| Cp,gas | 267.10 | J/mol×K | 616.32 | Joback Calculated Property |
| Cp,gas | 276.60 | J/mol×K | 654.20 | Joback Calculated Property |
| Cp,gas | 285.51 | J/mol×K | 692.08 | Joback Calculated Property |
| Cp,gas | 293.82 | J/mol×K | 729.96 | Joback Calculated Property |
| η | [0.0002401; 0.0016679] | Pa×s | [300.89; 502.68] |
|
| η | 0.0016679 | Pa×s | 300.89 | Joback Calculated Property |
| η | 0.0010265 | Pa×s | 334.52 | Joback Calculated Property |
| η | 0.0006903 | Pa×s | 368.15 | Joback Calculated Property |
| η | 0.0004961 | Pa×s | 401.78 | Joback Calculated Property |
| η | 0.0003752 | Pa×s | 435.42 | Joback Calculated Property |
| η | 0.0002954 | Pa×s | 469.05 | Joback Calculated Property |
| η | 0.0002401 | Pa×s | 502.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-bromophenetole.
Sources
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