- InChI
- InChI=1S/C13H8BrClO2/c14-10-5-3-4-9(8-10)13(16)17-12-7-2-1-6-11(12)15/h1-8H
- InChI Key
- GLMMOSUCBIPMQS-UHFFFAOYSA-N
- Formula
- C13H8BrClO2
- SMILES
- O=C(Oc1ccccc1Cl)c1cccc(Br)c1
- Molecular Weight1
- 311.56
- 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° | 32.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -95.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.38 | kJ/mol | Joback Calculated Property |
| log10WS | -5.41 | Crippen Calculated Property | |
| logPoct/wat | 4.322 | Crippen Calculated Property | |
| McVol | 183.690 | ml/mol | McGowan Calculated Property |
| Pc | 3243.03 | kPa | Joback Calculated Property |
| Inp | 2107.50 | NIST | |
| Tboil | 740.04 | K | Joback Calculated Property |
| Tc | 1003.05 | K | Joback Calculated Property |
| Tfus | 476.03 | K | Joback Calculated Property |
| Vc | 0.682 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.51; 472.17] | J/mol×K | [740.04; 1003.05] | 
|
| Cp,gas | 419.51 | J/mol×K | 740.04 | Joback Calculated Property |
| Cp,gas | 430.79 | J/mol×K | 783.88 | Joback Calculated Property |
| Cp,gas | 440.98 | J/mol×K | 827.71 | Joback Calculated Property |
| Cp,gas | 450.16 | J/mol×K | 871.55 | Joback Calculated Property |
| Cp,gas | 458.37 | J/mol×K | 915.38 | Joback Calculated Property |
| Cp,gas | 465.68 | J/mol×K | 959.22 | Joback Calculated Property |
| Cp,gas | 472.17 | J/mol×K | 1003.05 | Joback Calculated Property |
| η | [0.0001396; 0.0007959] | Pa×s | [476.03; 740.04] |
|
| η | 0.0007959 | Pa×s | 476.03 | Joback Calculated Property |
| η | 0.0005267 | Pa×s | 520.03 | Joback Calculated Property |
| η | 0.0003717 | Pa×s | 564.03 | Joback Calculated Property |
| η | 0.0002759 | Pa×s | 608.03 | Joback Calculated Property |
| η | 0.0002132 | Pa×s | 652.04 | Joback Calculated Property |
| η | 0.0001702 | Pa×s | 696.04 | Joback Calculated Property |
| η | 0.0001396 | Pa×s | 740.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Bromobenzoic acid, 2-chlorophenyl ester.
Sources
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