- InChI
- InChI=1S/C12H17BrO/c1-2-3-6-9-14-10-11-7-4-5-8-12(11)13/h4-5,7-8H,2-3,6,9-10H2,1H3
- InChI Key
- WJWANQRTZJQLOE-UHFFFAOYSA-N
- Formula
- C12H17BrO
- SMILES
- CCCCCOCc1ccccc1Br
- Molecular Weight1
- 257.17
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5677 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -170.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.156 | Crippen Calculated Property | |
| McVol | 179.550 | ml/mol | McGowan Calculated Property |
| Pc | 2495.01 | kPa | Joback Calculated Property |
| Inp | [1632.00; 1632.00] |
|
|
| Inp | 1632.00 | NIST | |
| Inp | 1632.00 | NIST | |
| Tboil | 553.45 | K | Relay (1.0) Calculated Property |
| Tc | 762.53 | K | Relay (1.0) Calculated Property |
| Tfus | 232.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.648 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [416.66; 495.19] | J/mol×K | [594.40; 806.45] |
|
| Cp,gas | 416.66 | J/mol×K | 594.40 | Joback Calculated Property |
| Cp,gas | 431.79 | J/mol×K | 629.74 | Joback Calculated Property |
| Cp,gas | 446.07 | J/mol×K | 665.08 | Joback Calculated Property |
| Cp,gas | 459.52 | J/mol×K | 700.43 | Joback Calculated Property |
| Cp,gas | 472.17 | J/mol×K | 735.77 | Joback Calculated Property |
| Cp,gas | 484.05 | J/mol×K | 771.11 | Joback Calculated Property |
| Cp,gas | 495.19 | J/mol×K | 806.45 | Joback Calculated Property |
| η | [0.0001672; 0.0015238] | Pa×s | [345.97; 594.40] |
|
| η | 0.0015238 | Pa×s | 345.97 | Joback Calculated Property |
| η | 0.0008659 | Pa×s | 387.38 | Joback Calculated Property |
| η | 0.0005488 | Pa×s | 428.78 | Joback Calculated Property |
| η | 0.0003769 | Pa×s | 470.19 | Joback Calculated Property |
| η | 0.0002751 | Pa×s | 511.59 | Joback Calculated Property |
| η | 0.0002105 | Pa×s | 553.00 | Joback Calculated Property |
| η | 0.0001672 | Pa×s | 594.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromobenzyl alcohol, n-pentyl ether.
Sources
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