- InChI
- InChI=1S/C20H37Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(24)25-18-20(21,22)23/h2-18H2,1H3
- InChI Key
- LFXBJDVOZVVFHT-UHFFFAOYSA-N
- Formula
- C20H37Cl3O2
- SMILES
-
CCCCCCCCCCCCCCCCCC(=O)OCC(Cl)(
Cl)Cl - Molecular Weight1
- 415.87
- 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° | -149.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -756.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.13 | kJ/mol | Joback Calculated Property |
| log10WS | -8.62 | Crippen Calculated Property | |
| logPoct/wat | 8.161 | Crippen Calculated Property | |
| McVol | 336.820 | ml/mol | McGowan Calculated Property |
| Pc | 986.40 | kPa | Joback Calculated Property |
| Inp | [2575.00; 2582.00] |
|
|
| Inp | 2575.00 | NIST | |
| Inp | 2582.00 | NIST | |
| Inp | 2582.00 | NIST | |
| Inp | 2575.00 | NIST | |
| I | [2969.00; 2988.00] |
|
|
| I | 2969.00 | NIST | |
| I | 2975.00 | NIST | |
| I | 2988.00 | NIST | |
| I | 2980.00 | NIST | |
| I | 2969.00 | NIST | |
| I | 2980.00 | NIST | |
| Tboil | 842.35 | K | Joback Calculated Property |
| Tc | 1034.98 | K | Joback Calculated Property |
| Tfus | 479.50 | K | Joback Calculated Property |
| Vc | 1.315 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1009.89; 1098.81] | J/mol×K | [842.35; 1034.98] |
|
| Cp,gas | 1009.89 | J/mol×K | 842.35 | Joback Calculated Property |
| Cp,gas | 1027.01 | J/mol×K | 874.46 | Joback Calculated Property |
| Cp,gas | 1043.14 | J/mol×K | 906.56 | Joback Calculated Property |
| Cp,gas | 1058.34 | J/mol×K | 938.67 | Joback Calculated Property |
| Cp,gas | 1072.65 | J/mol×K | 970.77 | Joback Calculated Property |
| Cp,gas | 1086.12 | J/mol×K | 1002.88 | Joback Calculated Property |
| Cp,gas | 1098.81 | J/mol×K | 1034.98 | Joback Calculated Property |
| η | [0.0000369; 0.0007258] | Pa×s | [479.50; 842.35] |
|
| η | 0.0007258 | Pa×s | 479.50 | Joback Calculated Property |
| η | 0.0003345 | Pa×s | 539.98 | Joback Calculated Property |
| η | 0.0001802 | Pa×s | 600.45 | Joback Calculated Property |
| η | 0.0001087 | Pa×s | 660.92 | Joback Calculated Property |
| η | 0.0000714 | Pa×s | 721.40 | Joback Calculated Property |
| η | 0.0000500 | Pa×s | 781.88 | Joback Calculated Property |
| η | 0.0000369 | Pa×s | 842.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloroethyl octadecanoate.
Sources
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