- InChI
- InChI=1S/C12H17BrO/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9H,2-5,10H2,1H3
- InChI Key
- GKLMJONYGGTHHM-UHFFFAOYSA-N
- Formula
- C12H17BrO
- SMILES
- CCCCCCOc1ccc(Br)cc1
- Molecular Weight1
- 257.17
- CAS
- 30752-19-3
- 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).
- 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° | 62.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -171.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.09 | kJ/mol | Joback Calculated Property |
| log10WS | -4.85 | Crippen Calculated Property | |
| logPoct/wat | 4.408 | Crippen Calculated Property | |
| McVol | 179.550 | ml/mol | McGowan Calculated Property |
| Pc | 2495.01 | kPa | Joback Calculated Property |
| Tboil | 594.20 | K | Joback Calculated Property |
| Tc | 806.18 | K | Joback Calculated Property |
| Tfus | 345.97 | K | Joback Calculated Property |
| Vc | 0.679 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [416.58; 495.11] | J/mol×K | [594.20; 806.18] | 
|
| Cp,gas | 416.58 | J/mol×K | 594.20 | Joback Calculated Property |
| Cp,gas | 431.71 | J/mol×K | 629.53 | Joback Calculated Property |
| Cp,gas | 445.98 | J/mol×K | 664.86 | Joback Calculated Property |
| Cp,gas | 459.43 | J/mol×K | 700.19 | Joback Calculated Property |
| Cp,gas | 472.08 | J/mol×K | 735.52 | Joback Calculated Property |
| Cp,gas | 483.96 | J/mol×K | 770.85 | Joback Calculated Property |
| Cp,gas | 495.11 | J/mol×K | 806.18 | Joback Calculated Property |
| η | [0.0001673; 0.0015238] | Pa×s | [345.97; 594.20] |
|
| η | 0.0015238 | Pa×s | 345.97 | Joback Calculated Property |
| η | 0.0008663 | Pa×s | 387.34 | Joback Calculated Property |
| η | 0.0005492 | Pa×s | 428.71 | Joback Calculated Property |
| η | 0.0003772 | Pa×s | 470.09 | Joback Calculated Property |
| η | 0.0002754 | Pa×s | 511.46 | Joback Calculated Property |
| η | 0.0002107 | Pa×s | 552.83 | Joback Calculated Property |
| η | 0.0001673 | Pa×s | 594.20 | Joback Calculated Property |
Similar Compounds
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Sources
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