- InChI
- InChI=1S/C11H13BrO3/c1-8(2)7-14-11(13)15-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3
- InChI Key
- BGVXUCZFFMKOEG-UHFFFAOYSA-N
- Formula
- C11H13BrO3
- SMILES
- CC(C)COC(=O)Oc1cccc(Br)c1
- Molecular Weight1
- 273.12
- 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° | -182.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -401.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.63 | kJ/mol | Joback Calculated Property |
| log10WS | -4.03 | Crippen Calculated Property | |
| logPoct/wat | 3.620 | Crippen Calculated Property | |
| McVol | 172.900 | ml/mol | McGowan Calculated Property |
| Pc | 2915.53 | kPa | Joback Calculated Property |
| Inp | [1643.00; 1643.00] |
|
|
| Inp | 1643.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Tboil | 647.17 | K | Joback Calculated Property |
| Tc | 871.68 | K | Joback Calculated Property |
| Tfus | 391.86 | K | Joback Calculated Property |
| Vc | 0.641 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [409.45; 475.81] | J/mol×K | [647.17; 871.68] |
|
| Cp,gas | 409.45 | J/mol×K | 647.17 | Joback Calculated Property |
| Cp,gas | 422.58 | J/mol×K | 684.59 | Joback Calculated Property |
| Cp,gas | 434.86 | J/mol×K | 722.01 | Joback Calculated Property |
| Cp,gas | 446.32 | J/mol×K | 759.42 | Joback Calculated Property |
| Cp,gas | 456.95 | J/mol×K | 796.84 | Joback Calculated Property |
| Cp,gas | 466.78 | J/mol×K | 834.26 | Joback Calculated Property |
| Cp,gas | 475.81 | J/mol×K | 871.68 | Joback Calculated Property |
| η | [0.0001395; 0.0012047] | Pa×s | [391.86; 647.17] |
|
| η | 0.0012047 | Pa×s | 391.86 | Joback Calculated Property |
| η | 0.0007054 | Pa×s | 434.41 | Joback Calculated Property |
| η | 0.0004544 | Pa×s | 476.96 | Joback Calculated Property |
| η | 0.0003146 | Pa×s | 519.52 | Joback Calculated Property |
| η | 0.0002303 | Pa×s | 562.07 | Joback Calculated Property |
| η | 0.0001761 | Pa×s | 604.62 | Joback Calculated Property |
| η | 0.0001395 | Pa×s | 647.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Bromophenol, isoBOC.
Sources
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