- InChI
- InChI=1S/C6H10BrClO2/c1-4(2)10-6(9)5(8)3-7/h4-5H,3H2,1-2H3
- InChI Key
- ZFRBCCORPDTTCO-UHFFFAOYSA-N
- Formula
- C6H10BrClO2
- SMILES
- CC(C)OC(=O)C(Cl)CBr
- Molecular Weight1
- 229.50
- 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° | -236.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -411.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.15 | kJ/mol | Joback Calculated Property |
| log10WS | -2.01 | Crippen Calculated Property | |
| logPoct/wat | 1.940 | Crippen Calculated Property | |
| McVol | 132.580 | ml/mol | McGowan Calculated Property |
| Pc | 3460.21 | kPa | Joback Calculated Property |
| Inp | [1101.00; 1101.00] |
|
|
| Inp | 1101.00 | NIST | |
| Inp | 1101.00 | NIST | |
| Tboil | 515.68 | K | Joback Calculated Property |
| Tc | 724.44 | K | Joback Calculated Property |
| Tfus | 289.26 | K | Joback Calculated Property |
| Vc | 0.494 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.37; 311.15] | J/mol×K | [515.68; 724.44] |
|
| Cp,gas | 259.37 | J/mol×K | 515.68 | Joback Calculated Property |
| Cp,gas | 269.22 | J/mol×K | 550.47 | Joback Calculated Property |
| Cp,gas | 278.58 | J/mol×K | 585.27 | Joback Calculated Property |
| Cp,gas | 287.43 | J/mol×K | 620.06 | Joback Calculated Property |
| Cp,gas | 295.81 | J/mol×K | 654.85 | Joback Calculated Property |
| Cp,gas | 303.71 | J/mol×K | 689.65 | Joback Calculated Property |
| Cp,gas | 311.15 | J/mol×K | 724.44 | Joback Calculated Property |
| η | [0.0002818; 0.0041723] | Pa×s | [289.26; 515.68] |
|
| η | 0.0041723 | Pa×s | 289.26 | Joback Calculated Property |
| η | 0.0020547 | Pa×s | 327.00 | Joback Calculated Property |
| η | 0.0011716 | Pa×s | 364.73 | Joback Calculated Property |
| η | 0.0007423 | Pa×s | 402.47 | Joback Calculated Property |
| η | 0.0005086 | Pa×s | 440.21 | Joback Calculated Property |
| η | 0.0003699 | Pa×s | 477.94 | Joback Calculated Property |
| η | 0.0002818 | Pa×s | 515.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-bromo-2-chloro, isopropyl ester.
Sources
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