- InChI
- InChI=1S/C9H11BrO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
- InChI Key
- NIDWUZTTXGJFNN-UHFFFAOYSA-N
- Formula
- C9H11BrO
- SMILES
- BrCCCOc1ccccc1
- Molecular Weight1
- 215.09
- CAS
- 588-63-6
- Other Names
-
- 3-Phenoxypropyl bromide
- «gamma»-Phenoxypropyl bromide
- (3-Bromopropoxy)benzene
- Ether, 3-bromopropyl phenyl
- 1-Bromo-3-phenoxypropane
- 3-Bromopropyl phenyl ether
- 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).
- 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° | 46.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -98.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.75 | kJ/mol | Joback Calculated Property |
| IE | 8.56 ± 0.05 | eV | NIST |
| log10WS | -2.86 | Crippen Calculated Property | |
| logPoct/wat | 2.850 | Crippen Calculated Property | |
| McVol | 137.280 | ml/mol | McGowan Calculated Property |
| Pc | 3464.28 | kPa | Joback Calculated Property |
| Tboil | 520.58 | K | Joback Calculated Property |
| Tc | 742.69 | K | Joback Calculated Property |
| Tfus | 299.64 | K | Joback Calculated Property |
| Vc | 0.511 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.73; 344.11] | J/mol×K | [520.58; 742.69] | 
|
| Cp,gas | 277.73 | J/mol×K | 520.58 | Joback Calculated Property |
| Cp,gas | 290.67 | J/mol×K | 557.60 | Joback Calculated Property |
| Cp,gas | 302.82 | J/mol×K | 594.62 | Joback Calculated Property |
| Cp,gas | 314.21 | J/mol×K | 631.64 | Joback Calculated Property |
| Cp,gas | 324.86 | J/mol×K | 668.66 | Joback Calculated Property |
| Cp,gas | 334.82 | J/mol×K | 705.68 | Joback Calculated Property |
| Cp,gas | 344.11 | J/mol×K | 742.69 | Joback Calculated Property |
| η | [0.0002294; 0.0022066] | Pa×s | [299.64; 520.58] |
|
| η | 0.0022066 | Pa×s | 299.64 | Joback Calculated Property |
| η | 0.0012309 | Pa×s | 336.46 | Joback Calculated Property |
| η | 0.0007704 | Pa×s | 373.29 | Joback Calculated Property |
| η | 0.0005245 | Pa×s | 410.11 | Joback Calculated Property |
| η | 0.0003805 | Pa×s | 446.93 | Joback Calculated Property |
| η | 0.0002898 | Pa×s | 483.76 | Joback Calculated Property |
| η | 0.0002294 | Pa×s | 520.58 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 405.20 | K | 1.90 | NIST |
Similar Compounds
Find more compounds similar to Benzene, (3-bromopropoxy)-.
Sources
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