- InChI
- InChI=1S/C15H13BrO2/c1-2-11-6-5-7-12(10-11)18-15(17)13-8-3-4-9-14(13)16/h3-10H,2H2,1H3
- InChI Key
- HSBULRZWONZIRG-UHFFFAOYSA-N
- Formula
- C15H13BrO2
- SMILES
- CCc1cccc(OC(=O)c2ccccc2Br)c1
- Molecular Weight1
- 305.17
- 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° | 61.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -121.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.45 | kJ/mol | Joback Calculated Property |
| log10WS | -5.52 | Crippen Calculated Property | |
| logPoct/wat | 4.231 | Crippen Calculated Property | |
| McVol | 199.630 | ml/mol | McGowan Calculated Property |
| Pc | 2738.28 | kPa | Joback Calculated Property |
| Inp | [2196.00; 2196.00] |
|
|
| Inp | 2196.00 | NIST | |
| Inp | 2196.00 | NIST | |
| Tboil | 748.37 | K | Joback Calculated Property |
| Tc | 997.92 | K | Joback Calculated Property |
| Tfus | 468.65 | K | Joback Calculated Property |
| Vc | 0.746 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [500.84; 566.25] | J/mol×K | [748.37; 997.92] |
|
| Cp,gas | 500.84 | J/mol×K | 748.37 | Joback Calculated Property |
| Cp,gas | 514.43 | J/mol×K | 789.96 | Joback Calculated Property |
| Cp,gas | 526.86 | J/mol×K | 831.55 | Joback Calculated Property |
| Cp,gas | 538.20 | J/mol×K | 873.14 | Joback Calculated Property |
| Cp,gas | 548.50 | J/mol×K | 914.73 | Joback Calculated Property |
| Cp,gas | 557.83 | J/mol×K | 956.33 | Joback Calculated Property |
| Cp,gas | 566.25 | J/mol×K | 997.92 | Joback Calculated Property |
| η | [0.0001217; 0.0007868] | Pa×s | [468.65; 748.37] |
|
| η | 0.0007868 | Pa×s | 468.65 | Joback Calculated Property |
| η | 0.0005008 | Pa×s | 515.27 | Joback Calculated Property |
| η | 0.0003435 | Pa×s | 561.89 | Joback Calculated Property |
| η | 0.0002497 | Pa×s | 608.51 | Joback Calculated Property |
| η | 0.0001899 | Pa×s | 655.13 | Joback Calculated Property |
| η | 0.0001498 | Pa×s | 701.75 | Joback Calculated Property |
| η | 0.0001217 | Pa×s | 748.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromobenzoic acid, 3-ethylphenyl ester.
Sources
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