- InChI
- InChI=1S/C10H13BrO/c1-8(2)12-7-9-5-3-4-6-10(9)11/h3-6,8H,7H2,1-2H3
- InChI Key
- GRVVRTKOGFUJML-UHFFFAOYSA-N
- Formula
- C10H13BrO
- SMILES
- CC(C)OCc1ccccc1Br
- Molecular Weight1
- 229.11
- 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° | 42.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -135.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.25 | kJ/mol | Joback Calculated Property |
| log10WS | -3.97 | Crippen Calculated Property | |
| logPoct/wat | 3.374 | Crippen Calculated Property | |
| McVol | 151.370 | ml/mol | McGowan Calculated Property |
| Pc | 3079.57 | kPa | Joback Calculated Property |
| Inp | 1371.00 | NIST | |
| Tboil | 548.00 | K | Joback Calculated Property |
| Tc | 772.32 | K | Joback Calculated Property |
| Tfus | 308.43 | K | Joback Calculated Property |
| Vc | 0.561 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.42; 394.20] | J/mol×K | [548.00; 772.32] | 
|
| Cp,gas | 322.42 | J/mol×K | 548.00 | Joback Calculated Property |
| Cp,gas | 336.35 | J/mol×K | 585.39 | Joback Calculated Property |
| Cp,gas | 349.46 | J/mol×K | 622.77 | Joback Calculated Property |
| Cp,gas | 361.77 | J/mol×K | 660.16 | Joback Calculated Property |
| Cp,gas | 373.32 | J/mol×K | 697.55 | Joback Calculated Property |
| Cp,gas | 384.12 | J/mol×K | 734.93 | Joback Calculated Property |
| Cp,gas | 394.20 | J/mol×K | 772.32 | Joback Calculated Property |
| η | [0.0001912; 0.0020654] | Pa×s | [308.43; 548.00] |
|
| η | 0.0020654 | Pa×s | 308.43 | Joback Calculated Property |
| η | 0.0011067 | Pa×s | 348.36 | Joback Calculated Property |
| η | 0.0006742 | Pa×s | 388.29 | Joback Calculated Property |
| η | 0.0004505 | Pa×s | 428.22 | Joback Calculated Property |
| η | 0.0003225 | Pa×s | 468.14 | Joback Calculated Property |
| η | 0.0002433 | Pa×s | 508.07 | Joback Calculated Property |
| η | 0.0001912 | Pa×s | 548.00 | Joback Calculated Property |
Similar Compounds
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Sources
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