- InChI
- InChI=1S/C19H13BrO2/c20-17-10-6-16(7-11-17)19(21)22-18-12-8-15(9-13-18)14-4-2-1-3-5-14/h1-13H
- InChI Key
- WNEUXFZIPBYWGU-UHFFFAOYSA-N
- Formula
- C19H13BrO2
- SMILES
-
O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc
(Br)cc1 - Molecular Weight1
- 353.21
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6931 | Relay (1.0) Calculated Property | |
| ΔfG° | 207.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -28.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.335 | Crippen Calculated Property | |
| McVol | 232.230 | ml/mol | McGowan Calculated Property |
| Pc | 2592.49 | kPa | Joback Calculated Property |
| Inp | [2897.00; 2897.00] |
|
|
| Inp | 2897.00 | NIST | |
| Inp | 2897.00 | NIST | |
| Tboil | 703.11 | K | Relay (1.0) Calculated Property |
| Tc | 994.06 | K | Relay (1.0) Calculated Property |
| Tfus | 409.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.823 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [620.58; 679.40] | J/mol×K | [866.57; 1138.77] |
|
| Cp,gas | 620.58 | J/mol×K | 866.57 | Joback Calculated Property |
| Cp,gas | 633.40 | J/mol×K | 911.94 | Joback Calculated Property |
| Cp,gas | 644.85 | J/mol×K | 957.30 | Joback Calculated Property |
| Cp,gas | 655.06 | J/mol×K | 1002.67 | Joback Calculated Property |
| Cp,gas | 664.14 | J/mol×K | 1048.04 | Joback Calculated Property |
| Cp,gas | 672.21 | J/mol×K | 1093.41 | Joback Calculated Property |
| Cp,gas | 679.40 | J/mol×K | 1138.77 | Joback Calculated Property |
| η | [0.0000748; 0.0005089] | Pa×s | [540.15; 866.57] |
|
| η | 0.0005089 | Pa×s | 540.15 | Joback Calculated Property |
| η | 0.0003194 | Pa×s | 594.55 | Joback Calculated Property |
| η | 0.0002167 | Pa×s | 648.96 | Joback Calculated Property |
| η | 0.0001561 | Pa×s | 703.36 | Joback Calculated Property |
| η | 0.0001179 | Pa×s | 757.76 | Joback Calculated Property |
| η | 0.0000925 | Pa×s | 812.17 | Joback Calculated Property |
| η | 0.0000748 | Pa×s | 866.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobenzoic acid, 4-biphenyl ester.
Sources
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