- InChI
- InChI=1S/C6H9Cl3O2/c1-2-3-5(10)11-4-6(7,8)9/h2-4H2,1H3
- InChI Key
- WRMIVVLGWCQXNE-UHFFFAOYSA-N
- Formula
- C6H9Cl3O2
- SMILES
- CCCC(=O)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 219.49
- Other Names
-
- Butanoic acid, 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.
- 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° | -267.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -467.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.97 | kJ/mol | Joback Calculated Property |
| log10WS | -2.76 | Crippen Calculated Property | |
| logPoct/wat | 2.700 | Crippen Calculated Property | |
| McVol | 139.560 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| Inp | [1144.00; 1218.00] |
|
|
| Inp | 1180.00 | NIST | |
| Inp | 1183.00 | NIST | |
| Inp | 1191.00 | NIST | |
| Inp | 1207.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Inp | 1144.00 | NIST | |
| I | [1559.00; 1600.00] |
|
|
| I | 1559.00 | NIST | |
| I | 1580.00 | NIST | |
| I | 1560.00 | NIST | |
| I | 1600.00 | NIST | |
| I | 1573.00 | NIST | |
| I | 1559.00 | NIST | |
| Tboil | 522.03 | K | Joback Calculated Property |
| Tc | 729.87 | K | Joback Calculated Property |
| Tfus | 321.72 | K | Joback Calculated Property |
| Vc | 0.531 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.69; 324.26] | J/mol×K | [522.03; 729.87] |
|
| Cp,gas | 275.69 | J/mol×K | 522.03 | Joback Calculated Property |
| Cp,gas | 285.19 | J/mol×K | 556.67 | Joback Calculated Property |
| Cp,gas | 294.09 | J/mol×K | 591.31 | Joback Calculated Property |
| Cp,gas | 302.43 | J/mol×K | 625.95 | Joback Calculated Property |
| Cp,gas | 310.22 | J/mol×K | 660.59 | Joback Calculated Property |
| Cp,gas | 317.49 | J/mol×K | 695.23 | Joback Calculated Property |
| Cp,gas | 324.26 | J/mol×K | 729.87 | Joback Calculated Property |
| η | [0.0002830; 0.0030680] | Pa×s | [321.72; 522.03] |
|
| η | 0.0030680 | Pa×s | 321.72 | Joback Calculated Property |
| η | 0.0017110 | Pa×s | 355.11 | Joback Calculated Property |
| η | 0.0010550 | Pa×s | 388.49 | Joback Calculated Property |
| η | 0.0007022 | Pa×s | 421.88 | Joback Calculated Property |
| η | 0.0004962 | Pa×s | 455.26 | Joback Calculated Property |
| η | 0.0003676 | Pa×s | 488.64 | Joback Calculated Property |
| η | 0.0002830 | Pa×s | 522.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloroethyl butanoate.
Sources
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