- InChI
- InChI=1S/C6H9Cl3O2/c1-4(2)3-11-5(10)6(7,8)9/h4H,3H2,1-2H3
- InChI Key
- LRASRNYGUIRRSW-UHFFFAOYSA-N
- Formula
- C6H9Cl3O2
- SMILES
- CC(C)COC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 219.49
- CAS
- 33560-15-5
- Other Names
-
- Isobutyl trichloroacetate
- Acetic acid, trichloro-, isobutyl ester
- Acetic acid, trichloro-, 2-methylpropyl ester
- Trichloroacetic acid isobutyl ester
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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 |
|---|---|---|---|
| ΔcH°liquid | [-3160.80; -3154.00] | kJ/mol |
|
| ΔcH°liquid | -3160.80 ± 8.40 | kJ/mol | NIST |
| ΔcH°liquid | -3154.00 | kJ/mol | NIST |
| ΔfG° | -269.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -500.80 ± 9.60 | kJ/mol | NIST |
| ΔfH°liquid | -554.00 ± 8.40 | kJ/mol | NIST |
| ΔfusH° | 15.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.10 ± 4.20 | kJ/mol | NIST |
| log10WS | -2.52 | Crippen Calculated Property | |
| logPoct/wat | 2.556 | Crippen Calculated Property | |
| McVol | 139.560 | ml/mol | McGowan Calculated Property |
| Pc | 2979.54 | kPa | Joback Calculated Property |
| Inp | [1103.80; 1106.00] |
|
|
| Inp | 1103.80 | NIST | |
| Inp | 1106.00 | NIST | |
| Inp | 1106.00 | NIST | |
| I | [1425.00; 1425.00] |
|
|
| I | 1425.00 | NIST | |
| I | 1425.00 | NIST | |
| Tboil | 521.59 | K | Joback Calculated Property |
| Tc | 734.09 | K | Joback Calculated Property |
| Tfus | 306.72 | K | Joback Calculated Property |
| Vc | 0.525 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [276.03; 325.79] | J/mol×K | [521.59; 734.09] |
|
| Cp,gas | 276.03 | J/mol×K | 521.59 | Joback Calculated Property |
| Cp,gas | 285.82 | J/mol×K | 557.01 | Joback Calculated Property |
| Cp,gas | 294.97 | J/mol×K | 592.42 | Joback Calculated Property |
| Cp,gas | 303.52 | J/mol×K | 627.84 | Joback Calculated Property |
| Cp,gas | 311.49 | J/mol×K | 663.25 | Joback Calculated Property |
| Cp,gas | 318.90 | J/mol×K | 698.67 | Joback Calculated Property |
| Cp,gas | 325.79 | J/mol×K | 734.09 | Joback Calculated Property |
| η | [0.0002670; 0.0041126] | Pa×s | [306.72; 521.59] |
|
| η | 0.0041126 | Pa×s | 306.72 | Joback Calculated Property |
| η | 0.0020546 | Pa×s | 342.53 | Joback Calculated Property |
| η | 0.0011705 | Pa×s | 378.34 | Joback Calculated Property |
| η | 0.0007350 | Pa×s | 414.16 | Joback Calculated Property |
| η | 0.0004970 | Pa×s | 449.97 | Joback Calculated Property |
| η | 0.0003560 | Pa×s | 485.78 | Joback Calculated Property |
| η | 0.0002670 | Pa×s | 521.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetic acid 2-methylpropyl ester.
Sources
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