- InChI
- InChI=1S/C11H12BrClO2/c12-8-2-1-3-11(14)15-10-6-4-9(13)5-7-10/h4-7H,1-3,8H2
- InChI Key
- IMWJAQXFZRMLJX-UHFFFAOYSA-N
- Formula
- C11H12BrClO2
- SMILES
- O=C(CCCCBr)Oc1ccc(Cl)cc1
- Molecular Weight1
- 291.57
- 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° | -87.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -279.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.99 | kJ/mol | Joback Calculated Property |
| log10WS | -4.16 | Crippen Calculated Property | |
| logPoct/wat | 3.811 | Crippen Calculated Property | |
| McVol | 179.270 | ml/mol | McGowan Calculated Property |
| Pc | 2829.33 | kPa | Joback Calculated Property |
| Inp | 1879.00 | NIST | |
| Tboil | 662.62 | K | Joback Calculated Property |
| Tc | 888.74 | K | Joback Calculated Property |
| Tfus | 414.55 | K | Joback Calculated Property |
| Vc | 0.678 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [408.92; 469.55] | J/mol×K | [662.62; 888.74] | 
|
| Cp,gas | 408.92 | J/mol×K | 662.62 | Joback Calculated Property |
| Cp,gas | 420.99 | J/mol×K | 700.31 | Joback Calculated Property |
| Cp,gas | 432.23 | J/mol×K | 737.99 | Joback Calculated Property |
| Cp,gas | 442.68 | J/mol×K | 775.68 | Joback Calculated Property |
| Cp,gas | 452.36 | J/mol×K | 813.37 | Joback Calculated Property |
| Cp,gas | 461.31 | J/mol×K | 851.06 | Joback Calculated Property |
| Cp,gas | 469.55 | J/mol×K | 888.74 | Joback Calculated Property |
| η | [0.0001758; 0.0012288] | Pa×s | [414.55; 662.62] |
|
| η | 0.0012288 | Pa×s | 414.55 | Joback Calculated Property |
| η | 0.0007672 | Pa×s | 455.89 | Joback Calculated Property |
| η | 0.0005181 | Pa×s | 497.24 | Joback Calculated Property |
| η | 0.0003716 | Pa×s | 538.59 | Joback Calculated Property |
| η | 0.0002795 | Pa×s | 579.93 | Joback Calculated Property |
| η | 0.0002183 | Pa×s | 621.27 | Joback Calculated Property |
| η | 0.0001758 | Pa×s | 662.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, 4-chlorophenyl ester.
Sources
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