- InChI
- InChI=1S/C14H11BrO3/c1-17-10-6-8-11(9-7-10)18-14(16)12-4-2-3-5-13(12)15/h2-9H,1H3
- InChI Key
- QQNKHSHHKAMKKT-UHFFFAOYSA-N
- Formula
- C14H11BrO3
- SMILES
- COc1ccc(OC(=O)c2ccccc2Br)cc1
- Molecular Weight1
- 307.14
- 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° | -52.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -232.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.64 | kJ/mol | Joback Calculated Property |
| log10WS | -4.84 | Crippen Calculated Property | |
| logPoct/wat | 3.677 | Crippen Calculated Property | |
| McVol | 191.410 | ml/mol | McGowan Calculated Property |
| Pc | 2979.54 | kPa | Joback Calculated Property |
| Inp | [2164.00; 2164.00] |
|
|
| Inp | 2164.00 | NIST | |
| Inp | 2164.00 | NIST | |
| Tboil | 747.91 | K | Joback Calculated Property |
| Tc | 998.76 | K | Joback Calculated Property |
| Tfus | 479.61 | K | Joback Calculated Property |
| Vc | 0.708 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.39; 533.36] | J/mol×K | [747.91; 998.76] |
|
| Cp,gas | 473.39 | J/mol×K | 747.91 | Joback Calculated Property |
| Cp,gas | 486.13 | J/mol×K | 789.72 | Joback Calculated Property |
| Cp,gas | 497.73 | J/mol×K | 831.53 | Joback Calculated Property |
| Cp,gas | 508.22 | J/mol×K | 873.33 | Joback Calculated Property |
| Cp,gas | 517.63 | J/mol×K | 915.14 | Joback Calculated Property |
| Cp,gas | 526.00 | J/mol×K | 956.95 | Joback Calculated Property |
| Cp,gas | 533.36 | J/mol×K | 998.76 | Joback Calculated Property |
| η | [0.0001057; 0.0006211] | Pa×s | [479.61; 747.91] |
|
| η | 0.0006211 | Pa×s | 479.61 | Joback Calculated Property |
| η | 0.0004076 | Pa×s | 524.33 | Joback Calculated Property |
| η | 0.0002858 | Pa×s | 569.04 | Joback Calculated Property |
| η | 0.0002111 | Pa×s | 613.76 | Joback Calculated Property |
| η | 0.0001624 | Pa×s | 658.48 | Joback Calculated Property |
| η | 0.0001292 | Pa×s | 703.19 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 747.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromobenzoic acid, 4-methoxyphenyl ester.
Sources
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