- InChI
- InChI=1S/C12H14Cl2O2/c1-2-10(9-6-4-3-5-7-9)12(15)16-8-11(13)14/h3-7,10-11H,2,8H2,1H3
- InChI Key
- HSMIMZKVUUSGOL-UHFFFAOYSA-N
- Formula
- C12H14Cl2O2
- SMILES
- CCC(C(=O)OCC(Cl)Cl)c1ccccc1
- Molecular Weight1
- 261.14
- 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° | -100.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -341.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.73 | kJ/mol | Joback Calculated Property |
| log10WS | -3.69 | Crippen Calculated Property | |
| logPoct/wat | 3.527 | Crippen Calculated Property | |
| McVol | 188.100 | ml/mol | McGowan Calculated Property |
| Pc | 2377.22 | kPa | Joback Calculated Property |
| Inp | [1672.00; 1672.00] |
|
|
| Inp | 1672.00 | NIST | |
| Inp | 1672.00 | NIST | |
| Tboil | 650.91 | K | Joback Calculated Property |
| Tc | 872.91 | K | Joback Calculated Property |
| Tfus | 353.42 | K | Joback Calculated Property |
| Vc | 0.710 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.33; 518.64] | J/mol×K | [650.91; 872.91] |
|
| Cp,gas | 449.33 | J/mol×K | 650.91 | Joback Calculated Property |
| Cp,gas | 463.17 | J/mol×K | 687.91 | Joback Calculated Property |
| Cp,gas | 476.05 | J/mol×K | 724.91 | Joback Calculated Property |
| Cp,gas | 488.00 | J/mol×K | 761.91 | Joback Calculated Property |
| Cp,gas | 499.06 | J/mol×K | 798.91 | Joback Calculated Property |
| Cp,gas | 509.26 | J/mol×K | 835.91 | Joback Calculated Property |
| Cp,gas | 518.64 | J/mol×K | 872.91 | Joback Calculated Property |
| η | [0.0001406; 0.0026155] | Pa×s | [353.42; 650.91] |
|
| η | 0.0026155 | Pa×s | 353.42 | Joback Calculated Property |
| η | 0.0011908 | Pa×s | 403.00 | Joback Calculated Property |
| η | 0.0006441 | Pa×s | 452.58 | Joback Calculated Property |
| η | 0.0003934 | Pa×s | 502.16 | Joback Calculated Property |
| η | 0.0002625 | Pa×s | 551.75 | Joback Calculated Property |
| η | 0.0001873 | Pa×s | 601.33 | Joback Calculated Property |
| η | 0.0001406 | Pa×s | 650.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, 2,2-dichloroethyl ester.
Sources
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