- InChI
- InChI=1S/C16H15BrO2/c17-12-4-7-16(18)19-15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2
- InChI Key
- SCOAEOMMVGBVGS-UHFFFAOYSA-N
- Formula
- C16H15BrO2
- SMILES
- O=C(CCCBr)Oc1ccc(-c2ccccc2)cc1
- Molecular Weight1
- 319.19
- 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° | 79.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -130.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.02 | kJ/mol | Joback Calculated Property |
| log10WS | -5.66 | Crippen Calculated Property | |
| logPoct/wat | 4.434 | Crippen Calculated Property | |
| McVol | 213.720 | ml/mol | McGowan Calculated Property |
| Pc | 2520.12 | kPa | Joback Calculated Property |
| Inp | 2502.00 | NIST | |
| Tboil | 766.27 | K | Joback Calculated Property |
| Tc | 1009.94 | K | Joback Calculated Property |
| Tfus | 467.40 | K | Joback Calculated Property |
| Vc | 0.801 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [555.25; 623.37] | J/mol×K | [766.27; 1009.94] | 
|
| Cp,gas | 555.25 | J/mol×K | 766.27 | Joback Calculated Property |
| Cp,gas | 569.33 | J/mol×K | 806.88 | Joback Calculated Property |
| Cp,gas | 582.22 | J/mol×K | 847.49 | Joback Calculated Property |
| Cp,gas | 594.00 | J/mol×K | 888.11 | Joback Calculated Property |
| Cp,gas | 604.74 | J/mol×K | 928.72 | Joback Calculated Property |
| Cp,gas | 614.51 | J/mol×K | 969.33 | Joback Calculated Property |
| Cp,gas | 623.37 | J/mol×K | 1009.94 | Joback Calculated Property |
| η | [0.0001067; 0.0008492] | Pa×s | [467.40; 766.27] |
|
| η | 0.0008492 | Pa×s | 467.40 | Joback Calculated Property |
| η | 0.0005089 | Pa×s | 517.21 | Joback Calculated Property |
| η | 0.0003336 | Pa×s | 567.02 | Joback Calculated Property |
| η | 0.0002342 | Pa×s | 616.84 | Joback Calculated Property |
| η | 0.0001733 | Pa×s | 666.65 | Joback Calculated Property |
| η | 0.0001337 | Pa×s | 716.46 | Joback Calculated Property |
| η | 0.0001067 | Pa×s | 766.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobutyric acid, 4-biphenyl ester.
Sources
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