- InChI
- InChI=1S/C22H41Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(26)27-20-22(23,24)25/h2-20H2,1H3
- InChI Key
- VJMDNNNSMGFIAL-UHFFFAOYSA-N
- Formula
- C22H41Cl3O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCC(=O)OCC(Cl
)(Cl)Cl - Molecular Weight1
- 443.92
- 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° | -132.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -798.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.58 | kJ/mol | Joback Calculated Property |
| log10WS | -9.46 | Crippen Calculated Property | |
| logPoct/wat | 8.941 | Crippen Calculated Property | |
| McVol | 365.000 | ml/mol | McGowan Calculated Property |
| Pc | 877.39 | kPa | Joback Calculated Property |
| Inp | [2776.00; 2785.00] |
|
|
| Inp | 2776.00 | NIST | |
| Inp | 2785.00 | NIST | |
| I | [3172.00; 3192.00] |
|
|
| I | 3172.00 | NIST | |
| I | 3179.00 | NIST | |
| I | 3192.00 | NIST | |
| I | 3191.00 | NIST | |
| Tboil | 888.11 | K | Joback Calculated Property |
| Tc | 1087.65 | K | Joback Calculated Property |
| Tfus | 502.04 | K | Joback Calculated Property |
| Vc | 1.427 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1131.77; 1224.82] | J/mol×K | [888.11; 1087.65] |
|
| Cp,gas | 1131.77 | J/mol×K | 888.11 | Joback Calculated Property |
| Cp,gas | 1149.76 | J/mol×K | 921.37 | Joback Calculated Property |
| Cp,gas | 1166.67 | J/mol×K | 954.62 | Joback Calculated Property |
| Cp,gas | 1182.57 | J/mol×K | 987.88 | Joback Calculated Property |
| Cp,gas | 1197.52 | J/mol×K | 1021.14 | Joback Calculated Property |
| Cp,gas | 1211.59 | J/mol×K | 1054.39 | Joback Calculated Property |
| Cp,gas | 1224.82 | J/mol×K | 1087.65 | Joback Calculated Property |
| η | [0.0000267; 0.0005551] | Pa×s | [502.04; 888.11] |
|
| η | 0.0005551 | Pa×s | 502.04 | Joback Calculated Property |
| η | 0.0002512 | Pa×s | 566.38 | Joback Calculated Property |
| η | 0.0001336 | Pa×s | 630.73 | Joback Calculated Property |
| η | 0.0000799 | Pa×s | 695.08 | Joback Calculated Property |
| η | 0.0000521 | Pa×s | 759.42 | Joback Calculated Property |
| η | 0.0000363 | Pa×s | 823.77 | Joback Calculated Property |
| η | 0.0000267 | Pa×s | 888.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloroethyl eicosanoate.
Sources
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