- InChI
- InChI=1S/C12H9BrO2/c13-8-12(14)15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
- InChI Key
- XJWDIZWNDCUOMG-UHFFFAOYSA-N
- Formula
- C12H9BrO2
- SMILES
- O=C(CBr)Oc1ccc2ccccc2c1
- Molecular Weight1
- 265.11
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -205.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.58 | kJ/mol | Joback Calculated Property |
| IE | 8.03 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.140 | Crippen Calculated Property | |
| McVol | 161.660 | ml/mol | McGowan Calculated Property |
| Inp | [1890.00; 1890.00] |
|
|
| Inp | 1890.00 | NIST | |
| Inp | 1890.00 | NIST | |
| Tboil | 617.38 | K | Relay (1.0) Calculated Property |
| Tfus | 365.99 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.47; 428.25] | J/mol×K | [667.05; 914.19] |
|
| Cp,gas | 370.47 | J/mol×K | 667.05 | Joback Calculated Property |
| Cp,gas | 382.23 | J/mol×K | 708.24 | Joback Calculated Property |
| Cp,gas | 393.04 | J/mol×K | 749.43 | Joback Calculated Property |
| Cp,gas | 402.97 | J/mol×K | 790.62 | Joback Calculated Property |
| Cp,gas | 412.09 | J/mol×K | 831.81 | Joback Calculated Property |
| Cp,gas | 420.49 | J/mol×K | 873.00 | Joback Calculated Property |
| Cp,gas | 428.25 | J/mol×K | 914.19 | Joback Calculated Property |
| η | [0.0003013; 0.0013275] | Pa×s | [428.60; 667.05] |
|
| η | 0.0013275 | Pa×s | 428.60 | Joback Calculated Property |
| η | 0.0009336 | Pa×s | 468.34 | Joback Calculated Property |
| η | 0.0006937 | Pa×s | 508.08 | Joback Calculated Property |
| η | 0.0005382 | Pa×s | 547.83 | Joback Calculated Property |
| η | 0.0004321 | Pa×s | 587.57 | Joback Calculated Property |
| η | 0.0003567 | Pa×s | 627.31 | Joback Calculated Property |
| η | 0.0003013 | Pa×s | 667.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bromoacetic acid, 2-naphthyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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