- InChI
- InChI=1S/C11H15BrO/c1-3-9(2)13-8-10-6-4-5-7-11(10)12/h4-7,9H,3,8H2,1-2H3
- InChI Key
- GEABBXXCBUVYNO-UHFFFAOYSA-N
- Formula
- C11H15BrO
- SMILES
- CCC(C)OCc1ccccc1Br
- Molecular Weight1
- 243.14
- 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° | 51.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -156.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.48 | kJ/mol | Joback Calculated Property |
| log10WS | -4.39 | Crippen Calculated Property | |
| logPoct/wat | 3.764 | Crippen Calculated Property | |
| McVol | 165.460 | ml/mol | McGowan Calculated Property |
| Pc | 2775.92 | kPa | Joback Calculated Property |
| Inp | 1471.00 | NIST | |
| Tboil | 570.88 | K | Joback Calculated Property |
| Tc | 791.16 | K | Joback Calculated Property |
| Tfus | 319.70 | K | Joback Calculated Property |
| Vc | 0.618 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.86; 445.12] | J/mol×K | [570.88; 791.16] | 
|
| Cp,gas | 368.86 | J/mol×K | 570.88 | Joback Calculated Property |
| Cp,gas | 383.64 | J/mol×K | 607.59 | Joback Calculated Property |
| Cp,gas | 397.55 | J/mol×K | 644.31 | Joback Calculated Property |
| Cp,gas | 410.62 | J/mol×K | 681.02 | Joback Calculated Property |
| Cp,gas | 422.89 | J/mol×K | 717.73 | Joback Calculated Property |
| Cp,gas | 434.38 | J/mol×K | 754.45 | Joback Calculated Property |
| Cp,gas | 445.12 | J/mol×K | 791.16 | Joback Calculated Property |
| η | [0.0001735; 0.0019905] | Pa×s | [319.70; 570.88] |
|
| η | 0.0019905 | Pa×s | 319.70 | Joback Calculated Property |
| η | 0.0010473 | Pa×s | 361.56 | Joback Calculated Property |
| η | 0.0006296 | Pa×s | 403.43 | Joback Calculated Property |
| η | 0.0004165 | Pa×s | 445.29 | Joback Calculated Property |
| η | 0.0002958 | Pa×s | 487.15 | Joback Calculated Property |
| η | 0.0002218 | Pa×s | 529.02 | Joback Calculated Property |
| η | 0.0001735 | Pa×s | 570.88 | Joback Calculated Property |
Similar Compounds
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Sources
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