- InChI
- InChI=1S/C15H15BrO2/c16-10-4-3-7-15(17)18-14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11H,3-4,7,10H2
- InChI Key
- SSXPSKQYEAPOEG-UHFFFAOYSA-N
- Formula
- C15H15BrO2
- SMILES
- O=C(CCCCBr)Oc1ccc2ccccc2c1
- Molecular Weight1
- 307.18
- 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 | -269.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.93 | kJ/mol | Joback Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.310 | Crippen Calculated Property | |
| McVol | 203.930 | ml/mol | McGowan Calculated Property |
| Inp | 2287.00 | NIST | |
| Tboil | 653.91 | K | Relay (1.0) Calculated Property |
| Tfus | 337.44 | 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 | [518.88; 586.79] | J/mol×K | [717.82; 948.64] | 
|
| Cp,gas | 518.88 | J/mol×K | 717.82 | Joback Calculated Property |
| Cp,gas | 532.58 | J/mol×K | 756.29 | Joback Calculated Property |
| Cp,gas | 545.23 | J/mol×K | 794.76 | Joback Calculated Property |
| Cp,gas | 556.89 | J/mol×K | 833.23 | Joback Calculated Property |
| Cp,gas | 567.66 | J/mol×K | 871.70 | Joback Calculated Property |
| Cp,gas | 577.60 | J/mol×K | 910.17 | Joback Calculated Property |
| Cp,gas | 586.79 | J/mol×K | 948.64 | Joback Calculated Property |
| η | [0.0001931; 0.0013074] | Pa×s | [432.58; 717.82] |
|
| η | 0.0013074 | Pa×s | 432.58 | Joback Calculated Property |
| η | 0.0008118 | Pa×s | 480.12 | Joback Calculated Property |
| η | 0.0005493 | Pa×s | 527.66 | Joback Calculated Property |
| η | 0.0003964 | Pa×s | 575.20 | Joback Calculated Property |
| η | 0.0003007 | Pa×s | 622.74 | Joback Calculated Property |
| η | 0.0002372 | Pa×s | 670.28 | Joback Calculated Property |
| η | 0.0001931 | Pa×s | 717.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric 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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