- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.52; 492.83] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 6.97400e+00 | |||
| Coefficient B | 8.85420e-01 | |||
| Coefficient C | -4.99160e-04 | |||
| Coefficient D | 9.96000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 213.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 262.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 305.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 344.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 378.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 408.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 434.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 457.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 476.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 492.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015854; 0.0002071] | Pa×s | [334.70; 551.03] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.16313e+01 | |||
| Coefficient B | 1.73523e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 334.70 | |||
| Temperature range, max. | 551.03 | |||
| η | 0.0015854 | Pa×s | 334.70 | Calculated Property |
| η | 0.0011201 | Pa×s | 358.74 | Calculated Property |
| η | 0.0008267 | Pa×s | 382.77 | Calculated Property |
| η | 0.0006325 | Pa×s | 406.81 | Calculated Property |
| η | 0.0004985 | Pa×s | 430.85 | Calculated Property |
| η | 0.0004030 | Pa×s | 454.89 | Calculated Property |
| η | 0.0003327 | Pa×s | 478.92 | Calculated Property |
| η | 0.0002798 | Pa×s | 502.96 | Calculated Property |
| η | 0.0002391 | Pa×s | 527.00 | Calculated Property |
| η | 0.0002071 | Pa×s | 551.03 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromobenzyl alcohol, n-butyl ether.
Sources
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