- InChI
- InChI=1S/C6H9Cl3O2/c1-5(2,3)11-4(10)6(7,8)9/h1-3H3
- InChI Key
- YROVKSCEXQTHTJ-UHFFFAOYSA-N
- Formula
- C6H9Cl3O2
- SMILES
- CC(C)(C)OC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 219.49
- CAS
- 1860-21-5
- 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.
- I : 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° | -264.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -476.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.67 | kJ/mol | Joback Calculated Property |
| log10WS | -2.87 | Crippen Calculated Property | |
| logPoct/wat | 2.698 | Crippen Calculated Property | |
| McVol | 139.560 | ml/mol | McGowan Calculated Property |
| Pc | 3015.64 | kPa | Joback Calculated Property |
| Inp | [1035.00; 1035.00] |
|
|
| Inp | 1035.00 | NIST | |
| Inp | 1035.00 | NIST | |
| I | [1315.00; 1315.00] |
|
|
| I | 1315.00 | NIST | |
| I | 1315.00 | NIST | |
| Tboil | 518.80 | K | Joback Calculated Property |
| Tc | 740.23 | K | Joback Calculated Property |
| Tfus | 324.14 | K | Joback Calculated Property |
| Vc | 0.520 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.39; 329.90] | J/mol×K | [518.80; 740.23] |
|
| Cp,gas | 279.39 | J/mol×K | 518.80 | Joback Calculated Property |
| Cp,gas | 289.68 | J/mol×K | 555.70 | Joback Calculated Property |
| Cp,gas | 299.15 | J/mol×K | 592.61 | Joback Calculated Property |
| Cp,gas | 307.85 | J/mol×K | 629.51 | Joback Calculated Property |
| Cp,gas | 315.85 | J/mol×K | 666.42 | Joback Calculated Property |
| Cp,gas | 323.18 | J/mol×K | 703.32 | Joback Calculated Property |
| Cp,gas | 329.90 | J/mol×K | 740.23 | Joback Calculated Property |
| η | [0.0002702; 0.0036065] | Pa×s | [324.14; 518.80] |
|
| η | 0.0036065 | Pa×s | 324.14 | Joback Calculated Property |
| η | 0.0019239 | Pa×s | 356.58 | Joback Calculated Property |
| η | 0.0011397 | Pa×s | 389.03 | Joback Calculated Property |
| η | 0.0007318 | Pa×s | 421.47 | Joback Calculated Property |
| η | 0.0005006 | Pa×s | 453.91 | Joback Calculated Property |
| η | 0.0003603 | Pa×s | 486.36 | Joback Calculated Property |
| η | 0.0002702 | Pa×s | 518.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, trichloro-, 1,1-dimethylethyl ester.
Sources
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