- InChI
- InChI=1S/C12H17BrO/c1-3-10(2)8-14-9-11-6-4-5-7-12(11)13/h4-7,10H,3,8-9H2,1-2H3
- InChI Key
- PBDRFSROPYAYMA-UHFFFAOYSA-N
- Formula
- C12H17BrO
- SMILES
- CCC(C)COCc1ccccc1Br
- Molecular Weight1
- 257.17
- 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° | 59.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -177.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.70 | kJ/mol | Joback Calculated Property |
| log10WS | -4.45 | Crippen Calculated Property | |
| logPoct/wat | 4.012 | Crippen Calculated Property | |
| McVol | 179.550 | ml/mol | McGowan Calculated Property |
| Pc | 2515.07 | kPa | Joback Calculated Property |
| Inp | 1584.00 | NIST | |
| Tboil | 593.76 | K | Joback Calculated Property |
| Tc | 810.17 | K | Joback Calculated Property |
| Tfus | 330.97 | K | Joback Calculated Property |
| Vc | 0.673 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [416.98; 497.07] | J/mol×K | [593.76; 810.17] | 
|
| Cp,gas | 416.98 | J/mol×K | 593.76 | Joback Calculated Property |
| Cp,gas | 432.48 | J/mol×K | 629.83 | Joback Calculated Property |
| Cp,gas | 447.08 | J/mol×K | 665.90 | Joback Calculated Property |
| Cp,gas | 460.81 | J/mol×K | 701.97 | Joback Calculated Property |
| Cp,gas | 473.69 | J/mol×K | 738.04 | Joback Calculated Property |
| Cp,gas | 485.77 | J/mol×K | 774.10 | Joback Calculated Property |
| Cp,gas | 497.07 | J/mol×K | 810.17 | Joback Calculated Property |
| η | [0.0001563; 0.0018986] | Pa×s | [330.97; 593.76] |
|
| η | 0.0018986 | Pa×s | 330.97 | Joback Calculated Property |
| η | 0.0009820 | Pa×s | 374.77 | Joback Calculated Property |
| η | 0.0005830 | Pa×s | 418.57 | Joback Calculated Property |
| η | 0.0003821 | Pa×s | 462.37 | Joback Calculated Property |
| η | 0.0002694 | Pa×s | 506.16 | Joback Calculated Property |
| η | 0.0002008 | Pa×s | 549.96 | Joback Calculated Property |
| η | 0.0001563 | Pa×s | 593.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromobenzyl alcohol, 2-methylbutyl ether.
Sources
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