- InChI
- InChI=1S/C11H15BrO/c1-2-3-8-13-9-10-6-4-5-7-11(10)12/h4-7H,2-3,8-9H2,1H3
- InChI Key
- SDHNQKGFIDUIMM-UHFFFAOYSA-N
- Formula
- C11H15BrO
- SMILES
- CCCCOCc1ccccc1Br
- Molecular Weight1
- 243.14
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.5209 | Relay (1.0) Calculated Property | |
| ΔfusH° | 24.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.766 | Crippen Calculated Property | |
| McVol | 165.460 | ml/mol | McGowan Calculated Property |
| Pc | 2752.67 | kPa | Joback Calculated Property |
| Inp | [1528.00; 1528.00] |
|
|
| Inp | 1528.00 | NIST | |
| Inp | 1528.00 | NIST | |
| Tboil | 537.93 | K | Relay (1.0) Calculated Property |
| Tc | 748.49 | K | Relay (1.0) Calculated Property |
| Tfus | 218.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.592 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, 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 | [368.56; 443.24] | J/mol×K | [571.52; 787.19] |
|
| Cp,gas | 368.56 | J/mol×K | 571.52 | Joback Calculated Property |
| Cp,gas | 382.97 | J/mol×K | 607.47 | Joback Calculated Property |
| Cp,gas | 396.55 | J/mol×K | 643.41 | Joback Calculated Property |
| Cp,gas | 409.34 | J/mol×K | 679.36 | Joback Calculated Property |
| Cp,gas | 421.37 | J/mol×K | 715.30 | Joback Calculated Property |
| Cp,gas | 432.66 | J/mol×K | 751.25 | Joback Calculated Property |
| Cp,gas | 443.24 | J/mol×K | 787.19 | Joback Calculated Property |
| η | [0.0001850; 0.0015854] | Pa×s | [334.70; 571.52] |
|
| η | 0.0015854 | Pa×s | 334.70 | Joback Calculated Property |
| η | 0.0009176 | Pa×s | 374.17 | Joback Calculated Property |
| η | 0.0005894 | Pa×s | 413.64 | Joback Calculated Property |
| η | 0.0004090 | Pa×s | 453.11 | Joback Calculated Property |
| η | 0.0003009 | Pa×s | 492.58 | Joback Calculated Property |
| η | 0.0002317 | Pa×s | 532.05 | Joback Calculated Property |
| η | 0.0001850 | Pa×s | 571.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromobenzyl alcohol, n-butyl ether.
Sources
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