- InChI
- InChI=1S/C7H11Cl3O2/c1-2-3-4-5-12-6(11)7(8,9)10/h2-5H2,1H3
- InChI Key
- LZJOVWVTJGLPFN-UHFFFAOYSA-N
- Formula
- C7H11Cl3O2
- SMILES
- CCCCCOC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 233.52
- CAS
- 33972-81-5
- Other Names
-
- Pentyl trichloroacetate
- 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° | -258.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -488.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.19 | kJ/mol | Joback Calculated Property |
| log10WS | -3.18 | Crippen Calculated Property | |
| logPoct/wat | 3.090 | Crippen Calculated Property | |
| McVol | 153.650 | ml/mol | McGowan Calculated Property |
| Pc | 2668.02 | kPa | Joback Calculated Property |
| Inp | [1216.00; 1277.00] |
|
|
| Inp | Outlier 1216.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1277.00 | NIST | |
| Inp | 1240.20 | NIST | |
| Inp | 1274.00 | NIST | |
| Inp | 1241.00 | NIST | |
| I | [1630.00; 1668.00] |
|
|
| I | 1634.00 | NIST | |
| I | 1630.00 | NIST | |
| I | 1631.00 | NIST | |
| I | 1668.00 | NIST | |
| Tboil | 544.91 | K | Joback Calculated Property |
| Tc | 749.61 | K | Joback Calculated Property |
| Tfus | 332.99 | K | Joback Calculated Property |
| Vc | 0.588 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [318.66; 372.65] | J/mol×K | [544.91; 749.61] |
|
| Cp,gas | 318.66 | J/mol×K | 544.91 | Joback Calculated Property |
| Cp,gas | 329.17 | J/mol×K | 579.03 | Joback Calculated Property |
| Cp,gas | 339.04 | J/mol×K | 613.14 | Joback Calculated Property |
| Cp,gas | 348.30 | J/mol×K | 647.26 | Joback Calculated Property |
| Cp,gas | 356.97 | J/mol×K | 681.38 | Joback Calculated Property |
| Cp,gas | 365.08 | J/mol×K | 715.49 | Joback Calculated Property |
| Cp,gas | 372.65 | J/mol×K | 749.61 | Joback Calculated Property |
| η | [0.0002498; 0.0028764] | Pa×s | [332.99; 544.91] |
|
| η | 0.0028764 | Pa×s | 332.99 | Joback Calculated Property |
| η | 0.0015745 | Pa×s | 368.31 | Joback Calculated Property |
| η | 0.0009578 | Pa×s | 403.63 | Joback Calculated Property |
| η | 0.0006311 | Pa×s | 438.95 | Joback Calculated Property |
| η | 0.0004425 | Pa×s | 474.27 | Joback Calculated Property |
| η | 0.0003259 | Pa×s | 509.59 | Joback Calculated Property |
| η | 0.0002498 | Pa×s | 544.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetic acid, pentyl ester.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.