- InChI
- InChI=1S/C16H15BrO3/c1-11(2)19-14-9-5-6-10-15(14)20-16(18)12-7-3-4-8-13(12)17/h3-11H,1-2H3
- InChI Key
- LOLOAAHMLKVPBH-UHFFFAOYSA-N
- Formula
- C16H15BrO3
- SMILES
- CC(C)Oc1ccccc1OC(=O)c1ccccc1Br
- Molecular Weight1
- 335.19
- 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 | 0.6991 | Relay (... Calculated Property | |
| ΔfG° | -37.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -344.16 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.57 | kJ/mol | Relay (... Calculated Property |
| IE | 8.21 | eV | Relay (... Calculated Property |
| log10WS | -4.66 | Relay (... Calculated Property | |
| logPoct/wat | 4.455 | Crippen Calculated Property | |
| McVol | 219.590 | ml/mol | McGowan Calculated Property |
| Pc | 2460.47 | kPa | Joback Calculated Property |
| Inp | [2148.00; 2148.00] |
|
|
| Inp | 2148.00 | NIST | |
| Inp | 2148.00 | NIST | |
| Tboil | 628.29 | K | Relay (... Calculated Property |
| Tc | 879.53 | K | Relay (... Calculated Property |
| Tfus | 345.23 | K | Relay (... Calculated Property |
| Vc | 0.791 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [580.21; 644.71] | J/mol×K | [793.23; 1038.51] |
|
| Cp,gas | 580.21 | J/mol×K | 793.23 | Joback Calculated Property |
| Cp,gas | 593.93 | J/mol×K | 834.11 | Joback Calculated Property |
| Cp,gas | 606.40 | J/mol×K | 874.99 | Joback Calculated Property |
| Cp,gas | 617.68 | J/mol×K | 915.87 | Joback Calculated Property |
| Cp,gas | 627.79 | J/mol×K | 956.75 | Joback Calculated Property |
| Cp,gas | 636.79 | J/mol×K | 997.63 | Joback Calculated Property |
| Cp,gas | 644.71 | J/mol×K | 1038.51 | Joback Calculated Property |
| η | [0.0000752; 0.0005868] | Pa×s | [487.15; 793.23] |
|
| η | 0.0005868 | Pa×s | 487.15 | Joback Calculated Property |
| η | 0.0003542 | Pa×s | 538.16 | Joback Calculated Property |
| η | 0.0002333 | Pa×s | 589.18 | Joback Calculated Property |
| η | 0.0001643 | Pa×s | 640.19 | Joback Calculated Property |
| η | 0.0001218 | Pa×s | 691.20 | Joback Calculated Property |
| η | 0.0000941 | Pa×s | 742.22 | Joback Calculated Property |
| η | 0.0000752 | Pa×s | 793.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromobenzoic acid, 2-isopropoxyphenyl ester.
Sources
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