- 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).
- 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° | 65.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -155.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.15 | kJ/mol | Joback Calculated Property |
| log10WS | -5.28 | Crippen Calculated Property | |
| logPoct/wat | 4.310 | Crippen Calculated Property | |
| McVol | 203.930 | ml/mol | McGowan Calculated Property |
| Pc | 2545.61 | kPa | Joback Calculated Property |
| Inp | 2287.00 | NIST | |
| Tboil | 735.69 | K | Joback Calculated Property |
| Tc | 968.11 | K | Joback Calculated Property |
| Tfus | 462.41 | K | Joback Calculated Property |
| Vc | 0.775 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [522.36; 590.17] | J/mol×K | [735.69; 968.11] | 
|
| Cp,gas | 522.36 | J/mol×K | 735.69 | Joback Calculated Property |
| Cp,gas | 535.85 | J/mol×K | 774.43 | Joback Calculated Property |
| Cp,gas | 548.36 | J/mol×K | 813.16 | Joback Calculated Property |
| Cp,gas | 559.97 | J/mol×K | 851.90 | Joback Calculated Property |
| Cp,gas | 570.76 | J/mol×K | 890.64 | Joback Calculated Property |
| Cp,gas | 580.80 | J/mol×K | 929.37 | Joback Calculated Property |
| Cp,gas | 590.17 | J/mol×K | 968.11 | Joback Calculated Property |
| η | [0.0002200; 0.0011517] | Pa×s | [462.41; 735.69] |
|
| η | 0.0011517 | Pa×s | 462.41 | Joback Calculated Property |
| η | 0.0007723 | Pa×s | 507.96 | Joback Calculated Property |
| η | 0.0005531 | Pa×s | 553.50 | Joback Calculated Property |
| η | 0.0004168 | Pa×s | 599.05 | Joback Calculated Property |
| η | 0.0003269 | Pa×s | 644.60 | Joback Calculated Property |
| η | 0.0002647 | Pa×s | 690.14 | Joback Calculated Property |
| η | 0.0002200 | Pa×s | 735.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, 2-naphthyl ester.
Sources
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