- InChI
- InChI=1S/C18H33Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(22)23-16-18(19,20)21/h2-16H2,1H3
- InChI Key
- FDHHGSHXWKVBKR-UHFFFAOYSA-N
- Formula
- C18H33Cl3O2
- SMILES
-
CCCCCCCCCCCCCCCC(=O)OCC(Cl)(Cl
)Cl - Molecular Weight1
- 387.81
- 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 | 0.9128 | Relay (... Calculated Property | |
| ΔfG° | -166.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -776.52 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 50.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.14 | kJ/mol | Relay (... Calculated Property |
| IE | 10.26 | eV | Relay (... Calculated Property |
| log10WS | -7.75 | Relay (... Calculated Property | |
| logPoct/wat | 7.381 | Crippen Calculated Property | |
| McVol | 308.640 | ml/mol | McGowan Calculated Property |
| Pc | 1117.06 | kPa | Joback Calculated Property |
| Inp | [2376.00; 2378.00] |
|
|
| Inp | 2377.00 | NIST | |
| Inp | 2378.00 | NIST | |
| Inp | 2376.00 | NIST | |
| Inp | 2377.00 | NIST | |
| I | [2747.00; 2783.00] |
|
|
| I | 2747.00 | NIST | |
| I | 2766.00 | NIST | |
| I | 2772.00 | NIST | |
| I | 2783.00 | NIST | |
| I | 2767.00 | NIST | |
| I | 2767.00 | NIST | |
| I | 2747.00 | NIST | |
| Tboil | 608.90 | K | Relay (... Calculated Property |
| Tc | 809.85 | K | Relay (... Calculated Property |
| Tfus | 321.72 | K | Relay (... Calculated Property |
| Vc | 1.167 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [891.14; 976.37] | J/mol×K | [796.59; 985.44] |
|
| Cp,gas | 891.14 | J/mol×K | 796.59 | Joback Calculated Property |
| Cp,gas | 907.51 | J/mol×K | 828.06 | Joback Calculated Property |
| Cp,gas | 922.96 | J/mol×K | 859.54 | Joback Calculated Property |
| Cp,gas | 937.52 | J/mol×K | 891.01 | Joback Calculated Property |
| Cp,gas | 951.25 | J/mol×K | 922.49 | Joback Calculated Property |
| Cp,gas | 964.18 | J/mol×K | 953.96 | Joback Calculated Property |
| Cp,gas | 976.37 | J/mol×K | 985.44 | Joback Calculated Property |
| η | [0.0000507; 0.0009387] | Pa×s | [456.96; 796.59] |
|
| η | 0.0009387 | Pa×s | 456.96 | Joback Calculated Property |
| η | 0.0004414 | Pa×s | 513.56 | Joback Calculated Property |
| η | 0.0002411 | Pa×s | 570.17 | Joback Calculated Property |
| η | 0.0001469 | Pa×s | 626.77 | Joback Calculated Property |
| η | 0.0000972 | Pa×s | 683.38 | Joback Calculated Property |
| η | 0.0000685 | Pa×s | 739.99 | Joback Calculated Property |
| η | 0.0000507 | Pa×s | 796.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloroethyl hexadecanoate.
Sources
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