- InChI
- InChI=1S/C7H12BrClO2/c1-5(2)4-11-7(10)6(9)3-8/h5-6H,3-4H2,1-2H3
- InChI Key
- REXXRTDJURMHKN-UHFFFAOYSA-N
- Formula
- C7H12BrClO2
- SMILES
- CC(C)COC(=O)C(Cl)CBr
- Molecular Weight1
- 243.53
- 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° | -228.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -432.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.38 | kJ/mol | Joback Calculated Property |
| log10WS | -2.07 | Crippen Calculated Property | |
| logPoct/wat | 2.188 | Crippen Calculated Property | |
| McVol | 146.670 | ml/mol | McGowan Calculated Property |
| Pc | 3100.18 | kPa | Joback Calculated Property |
| Inp | [1214.00; 1214.00] |
|
|
| Inp | 1214.00 | NIST | |
| Inp | 1214.00 | NIST | |
| Tboil | 538.56 | K | Joback Calculated Property |
| Tc | 744.15 | K | Joback Calculated Property |
| Tfus | 300.53 | K | Joback Calculated Property |
| Vc | 0.550 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.24; 359.73] | J/mol×K | [538.56; 744.15] |
|
| Cp,gas | 302.24 | J/mol×K | 538.56 | Joback Calculated Property |
| Cp,gas | 313.19 | J/mol×K | 572.83 | Joback Calculated Property |
| Cp,gas | 323.57 | J/mol×K | 607.09 | Joback Calculated Property |
| Cp,gas | 333.40 | J/mol×K | 641.36 | Joback Calculated Property |
| Cp,gas | 342.70 | J/mol×K | 675.62 | Joback Calculated Property |
| Cp,gas | 351.47 | J/mol×K | 709.89 | Joback Calculated Property |
| Cp,gas | 359.73 | J/mol×K | 744.15 | Joback Calculated Property |
| η | [0.0002522; 0.0039430] | Pa×s | [300.53; 538.56] |
|
| η | 0.0039430 | Pa×s | 300.53 | Joback Calculated Property |
| η | 0.0019088 | Pa×s | 340.20 | Joback Calculated Property |
| η | 0.0010753 | Pa×s | 379.87 | Joback Calculated Property |
| η | 0.0006752 | Pa×s | 419.54 | Joback Calculated Property |
| η | 0.0004594 | Pa×s | 459.22 | Joback Calculated Property |
| η | 0.0003324 | Pa×s | 498.89 | Joback Calculated Property |
| η | 0.0002522 | Pa×s | 538.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-bromo-2-chloro, 2-methylpropyl ester.
Sources
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