- InChI
- InChI=1S/C22H42Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)26-20-21(23)24/h21H,2-20H2,1H3
- InChI Key
- GQOAJQKJBXTXBR-UHFFFAOYSA-N
- Formula
- C22H42Cl2O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCC(=O)OCC(Cl
)Cl - Molecular Weight1
- 409.47
- 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° | -125.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -778.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.10 | kJ/mol | Joback Calculated Property |
| log10WS | -8.81 | Crippen Calculated Property | |
| logPoct/wat | 8.375 | Crippen Calculated Property | |
| McVol | 352.760 | ml/mol | McGowan Calculated Property |
| Pc | 891.07 | kPa | Joback Calculated Property |
| Inp | [2704.00; 2708.00] |
|
|
| Inp | 2704.00 | NIST | |
| Inp | 2708.00 | NIST | |
| Inp | 2704.00 | NIST | |
| Inp | 2708.00 | NIST | |
| I | [3189.00; 3203.00] |
|
|
| I | 3189.00 | NIST | |
| I | 3194.00 | NIST | |
| I | 3203.00 | NIST | |
| I | 3199.00 | NIST | |
| I | 3189.00 | NIST | |
| I | 3199.00 | NIST | |
| Tboil | 853.47 | K | Joback Calculated Property |
| Tc | 1045.26 | K | Joback Calculated Property |
| Tfus | 454.70 | K | Joback Calculated Property |
| Vc | 1.383 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1100.65; 1198.81] | J/mol×K | [853.47; 1045.26] |
|
| Cp,gas | 1100.65 | J/mol×K | 853.47 | Joback Calculated Property |
| Cp,gas | 1119.66 | J/mol×K | 885.44 | Joback Calculated Property |
| Cp,gas | 1137.56 | J/mol×K | 917.40 | Joback Calculated Property |
| Cp,gas | 1154.38 | J/mol×K | 949.37 | Joback Calculated Property |
| Cp,gas | 1170.17 | J/mol×K | 981.33 | Joback Calculated Property |
| Cp,gas | 1184.97 | J/mol×K | 1013.30 | Joback Calculated Property |
| Cp,gas | 1198.81 | J/mol×K | 1045.26 | Joback Calculated Property |
| η | [0.0000373; 0.0009313] | Pa×s | [454.70; 853.47] |
|
| η | 0.0009313 | Pa×s | 454.70 | Joback Calculated Property |
| η | 0.0003871 | Pa×s | 521.16 | Joback Calculated Property |
| η | 0.0001962 | Pa×s | 587.62 | Joback Calculated Property |
| η | 0.0001142 | Pa×s | 654.09 | Joback Calculated Property |
| η | 0.0000734 | Pa×s | 720.55 | Joback Calculated Property |
| η | 0.0000509 | Pa×s | 787.01 | Joback Calculated Property |
| η | 0.0000373 | Pa×s | 853.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-dichloroethyl eicosanoate.
Sources
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