- InChI
- InChI=1S/C7H10BrClO2/c8-4-1-3-7(10)11-6-2-5-9/h2,5H,1,3-4,6H2/b5-2+
- InChI Key
- MXEQMDIIUFQSMS-GORDUTHDSA-N
- Formula
- C7H10BrClO2
- SMILES
- O=C(CCCBr)OCC=CCl
- Molecular Weight1
- 241.51
- 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° | -143.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -304.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.11 | kJ/mol | Joback Calculated Property |
| log10WS | -2.55 | Crippen Calculated Property | |
| logPoct/wat | 2.457 | Crippen Calculated Property | |
| McVol | 142.370 | ml/mol | McGowan Calculated Property |
| Pc | 3228.31 | kPa | Joback Calculated Property |
| Inp | [1391.00; 1391.00] |
|
|
| Inp | 1391.00 | NIST | |
| Inp | 1391.00 | NIST | |
| Tboil | 543.60 | K | Joback Calculated Property |
| Tc | 749.48 | K | Joback Calculated Property |
| Tfus | 325.45 | K | Joback Calculated Property |
| Vc | 0.542 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.41; 333.16] | J/mol×K | [543.60; 749.48] |
|
| Cp,gas | 282.41 | J/mol×K | 543.60 | Joback Calculated Property |
| Cp,gas | 292.15 | J/mol×K | 577.91 | Joback Calculated Property |
| Cp,gas | 301.35 | J/mol×K | 612.23 | Joback Calculated Property |
| Cp,gas | 310.02 | J/mol×K | 646.54 | Joback Calculated Property |
| Cp,gas | 318.20 | J/mol×K | 680.86 | Joback Calculated Property |
| Cp,gas | 325.91 | J/mol×K | 715.17 | Joback Calculated Property |
| Cp,gas | 333.16 | J/mol×K | 749.48 | Joback Calculated Property |
| η | [0.0002420; 0.0021465] | Pa×s | [325.45; 543.60] |
|
| η | 0.0021465 | Pa×s | 325.45 | Joback Calculated Property |
| η | 0.0012427 | Pa×s | 361.81 | Joback Calculated Property |
| η | 0.0007949 | Pa×s | 398.17 | Joback Calculated Property |
| η | 0.0005480 | Pa×s | 434.52 | Joback Calculated Property |
| η | 0.0004001 | Pa×s | 470.88 | Joback Calculated Property |
| η | 0.0003056 | Pa×s | 507.24 | Joback Calculated Property |
| η | 0.0002420 | Pa×s | 543.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobutanoic acid, 3-chloroprop-2-enyl ester.
Sources
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