- InChI
- InChI=1S/C21H39Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(25)26-19-21(22,23)24/h2-19H2,1H3
- InChI Key
- HBCPZORCMRNRFJ-UHFFFAOYSA-N
- Formula
- C21H39Cl3O2
- SMILES
-
CCCCCCCCCCCCCCCCCCC(=O)OCC(Cl)
(Cl)Cl - Molecular Weight1
- 429.89
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0192 | Relay (... Calculated Property | |
| ΔfG° | -140.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -839.20 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 58.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.52 | kJ/mol | Relay (... Calculated Property |
| IE | 10.33 | eV | Relay (... Calculated Property |
| log10WS | -8.62 | Relay (... Calculated Property | |
| logPoct/wat | 8.551 | Crippen Calculated Property | |
| McVol | 350.910 | ml/mol | McGowan Calculated Property |
| Pc | 929.51 | kPa | Joback Calculated Property |
| Inp | [2676.00; 2685.00] |
|
|
| Inp | 2676.00 | NIST | |
| Inp | 2685.00 | NIST | |
| I | [3070.00; 3089.00] |
|
|
| I | 3070.00 | NIST | |
| I | 3077.00 | NIST | |
| I | 3089.00 | NIST | |
| I | 3084.00 | NIST | |
| I | 3084.00 | NIST | |
| Tboil | 629.49 | K | Relay (... Calculated Property |
| Tc | 831.66 | K | Relay (... Calculated Property |
| Tfus | 328.92 | K | Relay (... Calculated Property |
| Vc | 1.335 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1070.47; 1161.38] | J/mol×K | [865.23; 1060.89] |
|
| Cp,gas | 1070.47 | J/mol×K | 865.23 | Joback Calculated Property |
| Cp,gas | 1088.00 | J/mol×K | 897.84 | Joback Calculated Property |
| Cp,gas | 1104.51 | J/mol×K | 930.45 | Joback Calculated Property |
| Cp,gas | 1120.05 | J/mol×K | 963.06 | Joback Calculated Property |
| Cp,gas | 1134.66 | J/mol×K | 995.67 | Joback Calculated Property |
| Cp,gas | 1148.42 | J/mol×K | 1028.28 | Joback Calculated Property |
| Cp,gas | 1161.38 | J/mol×K | 1060.89 | Joback Calculated Property |
| η | [0.0000314; 0.0006356] | Pa×s | [490.77; 865.23] |
|
| η | 0.0006356 | Pa×s | 490.77 | Joback Calculated Property |
| η | 0.0002902 | Pa×s | 553.18 | Joback Calculated Property |
| η | 0.0001553 | Pa×s | 615.59 | Joback Calculated Property |
| η | 0.0000933 | Pa×s | 678.00 | Joback Calculated Property |
| η | 0.0000610 | Pa×s | 740.41 | Joback Calculated Property |
| η | 0.0000427 | Pa×s | 802.82 | Joback Calculated Property |
| η | 0.0000314 | Pa×s | 865.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloroethyl nonadecanoate.
Sources
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