- InChI
- InChI=1S/C9H8Cl2O2/c1-6(12)13-5-7-2-8(10)4-9(11)3-7/h2-4H,5H2,1H3
- InChI Key
- AUBLCENCKCEUKL-UHFFFAOYSA-N
- Formula
- C9H8Cl2O2
- SMILES
- CC(=O)OCc1cc(Cl)cc(Cl)c1
- Molecular Weight1
- 219.06
- CAS
- 85263-04-3
- 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° | -139.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.15 | kJ/mol | Joback Calculated Property |
| log10WS | -3.42 | Crippen Calculated Property | |
| logPoct/wat | 3.056 | Crippen Calculated Property | |
| McVol | 145.830 | ml/mol | McGowan Calculated Property |
| Pc | 3055.79 | kPa | Joback Calculated Property |
| Inp | [1513.00; 1513.00] |
|
|
| Inp | 1513.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Tboil | 593.11 | K | Joback Calculated Property |
| Tc | 820.29 | K | Joback Calculated Property |
| Tfus | 374.65 | K | Joback Calculated Property |
| Vc | 0.553 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.99; 356.37] | J/mol×K | [593.11; 820.29] |
|
| Cp,gas | 302.99 | J/mol×K | 593.11 | Joback Calculated Property |
| Cp,gas | 313.48 | J/mol×K | 630.97 | Joback Calculated Property |
| Cp,gas | 323.31 | J/mol×K | 668.84 | Joback Calculated Property |
| Cp,gas | 332.51 | J/mol×K | 706.70 | Joback Calculated Property |
| Cp,gas | 341.08 | J/mol×K | 744.56 | Joback Calculated Property |
| Cp,gas | 349.03 | J/mol×K | 782.43 | Joback Calculated Property |
| Cp,gas | 356.37 | J/mol×K | 820.29 | Joback Calculated Property |
| η | [0.0002182; 0.0012799] | Pa×s | [374.65; 593.11] |
|
| η | 0.0012799 | Pa×s | 374.65 | Joback Calculated Property |
| η | 0.0008364 | Pa×s | 411.06 | Joback Calculated Property |
| η | 0.0005857 | Pa×s | 447.47 | Joback Calculated Property |
| η | 0.0004328 | Pa×s | 483.88 | Joback Calculated Property |
| η | 0.0003336 | Pa×s | 520.29 | Joback Calculated Property |
| η | 0.0002661 | Pa×s | 556.70 | Joback Calculated Property |
| η | 0.0002182 | Pa×s | 593.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, (3,5-dichlorophenyl)methyl ester.
Sources
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