- InChI
- InChI=1S/C7H11Cl3O2/c1-5(2)3-6(11)12-4-7(8,9)10/h5H,3-4H2,1-2H3
- InChI Key
- BNIQDVUOLNNQRY-UHFFFAOYSA-N
- Formula
- C7H11Cl3O2
- SMILES
- CC(C)CC(=O)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 233.52
- Other Names
-
- Butanoic acid, 3-methyl, 2,2,2-trichloroethyl ester
- 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° | -261.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -493.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.80 | kJ/mol | Joback Calculated Property |
| log10WS | -2.93 | Crippen Calculated Property | |
| logPoct/wat | 2.946 | Crippen Calculated Property | |
| McVol | 153.650 | ml/mol | McGowan Calculated Property |
| Pc | 2690.21 | kPa | Joback Calculated Property |
| Inp | [1195.00; 1223.00] |
|
|
| Inp | 1195.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Tboil | 544.47 | K | Joback Calculated Property |
| Tc | 753.60 | K | Joback Calculated Property |
| Tfus | 317.99 | K | Joback Calculated Property |
| Vc | 0.582 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [319.04; 374.25] | J/mol×K | [544.47; 753.60] |
|
| Cp,gas | 319.04 | J/mol×K | 544.47 | Joback Calculated Property |
| Cp,gas | 329.84 | J/mol×K | 579.32 | Joback Calculated Property |
| Cp,gas | 339.96 | J/mol×K | 614.18 | Joback Calculated Property |
| Cp,gas | 349.44 | J/mol×K | 649.03 | Joback Calculated Property |
| Cp,gas | 358.30 | J/mol×K | 683.89 | Joback Calculated Property |
| Cp,gas | 366.56 | J/mol×K | 718.74 | Joback Calculated Property |
| Cp,gas | 374.25 | J/mol×K | 753.60 | Joback Calculated Property |
| η | [0.0002349; 0.0038109] | Pa×s | [317.99; 544.47] |
|
| η | 0.0038109 | Pa×s | 317.99 | Joback Calculated Property |
| η | 0.0018721 | Pa×s | 355.74 | Joback Calculated Property |
| η | 0.0010540 | Pa×s | 393.48 | Joback Calculated Property |
| η | 0.0006562 | Pa×s | 431.23 | Joback Calculated Property |
| η | 0.0004410 | Pa×s | 468.98 | Joback Calculated Property |
| η | 0.0003144 | Pa×s | 506.72 | Joback Calculated Property |
| η | 0.0002349 | Pa×s | 544.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isovaleric acid, 2,2,2-trichloroethyl ester.
Sources
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