- InChI
- InChI=1S/C9H8BrClO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3
- InChI Key
- AMGWDYLEMSMUIO-UHFFFAOYSA-N
- Formula
- C9H8BrClO2
- SMILES
- CCOC(=O)c1cc(Br)ccc1Cl
- Molecular Weight1
- 263.52
- CAS
- 76008-73-6
- Other Names
-
- ethyl 5-bromo-2-chlorobenzoate
- 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).
- 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° | -113.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -249.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.20 | kJ/mol | Joback Calculated Property |
| log10WS | -3.98 | Crippen Calculated Property | |
| logPoct/wat | 3.279 | Crippen Calculated Property | |
| McVol | 151.090 | ml/mol | McGowan Calculated Property |
| Pc | 3448.03 | kPa | Joback Calculated Property |
| Tboil | 621.84 | K | Joback Calculated Property |
| Tc | 858.00 | K | Joback Calculated Property |
| Tfus | 404.53 | K | Joback Calculated Property |
| Vc | 0.567 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [312.15; 363.63] | J/mol×K | [621.84; 858.00] | 
|
| Cp,gas | 312.15 | J/mol×K | 621.84 | Joback Calculated Property |
| Cp,gas | 322.40 | J/mol×K | 661.20 | Joback Calculated Property |
| Cp,gas | 331.96 | J/mol×K | 700.56 | Joback Calculated Property |
| Cp,gas | 340.85 | J/mol×K | 739.92 | Joback Calculated Property |
| Cp,gas | 349.07 | J/mol×K | 779.28 | Joback Calculated Property |
| Cp,gas | 356.66 | J/mol×K | 818.64 | Joback Calculated Property |
| Cp,gas | 363.63 | J/mol×K | 858.00 | Joback Calculated Property |
| η | [0.0002188; 0.0011425] | Pa×s | [404.53; 621.84] |
|
| η | 0.0011425 | Pa×s | 404.53 | Joback Calculated Property |
| η | 0.0007746 | Pa×s | 440.75 | Joback Calculated Property |
| η | 0.0005571 | Pa×s | 476.97 | Joback Calculated Property |
| η | 0.0004197 | Pa×s | 513.19 | Joback Calculated Property |
| η | 0.0003283 | Pa×s | 549.40 | Joback Calculated Property |
| η | 0.0002647 | Pa×s | 585.62 | Joback Calculated Property |
| η | 0.0002188 | Pa×s | 621.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 5-bromo-2-chloro-, ethyl ester.
Sources
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