- InChI
- InChI=1S/C12H21Cl3O2/c1-2-3-4-5-6-7-8-9-11(16)17-10-12(13,14)15/h2-10H2,1H3
- InChI Key
- APCZNNVIRSIKPK-UHFFFAOYSA-N
- Formula
- C12H21Cl3O2
- SMILES
- CCCCCCCCCC(=O)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 303.65
- Other Names
-
- Decanoic 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° | -216.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -591.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.32 | kJ/mol | Joback Calculated Property |
| log10WS | -5.27 | Crippen Calculated Property | |
| logPoct/wat | 5.041 | Crippen Calculated Property | |
| McVol | 224.100 | ml/mol | McGowan Calculated Property |
| Pc | 1713.19 | kPa | Joback Calculated Property |
| Inp | [1760.00; 1779.00] |
|
|
| Inp | 1778.00 | NIST | |
| Inp | 1776.00 | NIST | |
| Inp | 1778.00 | NIST | |
| Inp | 1776.00 | NIST | |
| Inp | 1779.00 | NIST | |
| Inp | 1760.00 | NIST | |
| Inp | 1776.00 | NIST | |
| Inp | 1778.00 | NIST | |
| Inp | 1760.00 | NIST | |
| I | [2126.00; 2183.00] |
|
|
| I | 2126.00 | NIST | |
| I | 2140.00 | NIST | |
| I | 2144.00 | NIST | |
| I | 2160.00 | NIST | |
| I | 2163.00 | NIST | |
| I | 2183.00 | NIST | |
| I | 2142.00 | NIST | |
| Tboil | 659.31 | K | Joback Calculated Property |
| Tc | 851.10 | K | Joback Calculated Property |
| Tfus | 389.34 | K | Joback Calculated Property |
| Vc | 0.868 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.87; 631.64] | J/mol×K | [659.31; 851.10] |
|
| Cp,gas | 558.87 | J/mol×K | 659.31 | Joback Calculated Property |
| Cp,gas | 572.87 | J/mol×K | 691.27 | Joback Calculated Property |
| Cp,gas | 586.07 | J/mol×K | 723.24 | Joback Calculated Property |
| Cp,gas | 598.52 | J/mol×K | 755.20 | Joback Calculated Property |
| Cp,gas | 610.24 | J/mol×K | 787.17 | Joback Calculated Property |
| Cp,gas | 621.27 | J/mol×K | 819.13 | Joback Calculated Property |
| Cp,gas | 631.64 | J/mol×K | 851.10 | Joback Calculated Property |
| η | [0.0001260; 0.0018663] | Pa×s | [389.34; 659.31] |
|
| η | 0.0018663 | Pa×s | 389.34 | Joback Calculated Property |
| η | 0.0009436 | Pa×s | 434.33 | Joback Calculated Property |
| η | 0.0005423 | Pa×s | 479.33 | Joback Calculated Property |
| η | 0.0003427 | Pa×s | 524.32 | Joback Calculated Property |
| η | 0.0002329 | Pa×s | 569.32 | Joback Calculated Property |
| η | 0.0001675 | Pa×s | 614.31 | Joback Calculated Property |
| η | 0.0001260 | Pa×s | 659.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloroethyl decanoate.
Sources
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