- InChI
- InChI=1S/C16H29Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(20)21-14-16(17,18)19/h2-14H2,1H3
- InChI Key
- LROGLTHRRUHOKR-UHFFFAOYSA-N
- Formula
- C16H29Cl3O2
- SMILES
-
CCCCCCCCCCCCCC(=O)OCC(Cl)(Cl)C
l - Molecular Weight1
- 359.76
- 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 | 0.8411 | Relay (1.0) Calculated Property | |
| ΔfG° | -183.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -734.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.601 | Crippen Calculated Property | |
| McVol | 280.460 | ml/mol | McGowan Calculated Property |
| Pc | 1275.51 | kPa | Joback Calculated Property |
| Inp | [2175.00; 2177.00] |
|
|
| Inp | 2175.00 | NIST | |
| Inp | 2177.00 | NIST | |
| Inp | 2177.00 | NIST | |
| Inp | 2175.00 | NIST | |
| I | [2537.00; 2582.00] |
|
|
| I | 2537.00 | NIST | |
| I | 2544.00 | NIST | |
| I | 2565.00 | NIST | |
| I | 2568.00 | NIST | |
| I | 2582.00 | NIST | |
| I | 2558.00 | NIST | |
| Tboil | 594.37 | K | Relay (1.0) Calculated Property |
| Tc | 793.59 | K | Relay (1.0) Calculated Property |
| Tfus | 316.22 | K | Relay (1.0) Calculated Property |
| Vc | 1.055 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [776.02; 857.60] | J/mol×K | [750.83; 938.56] |
|
| Cp,gas | 776.02 | J/mol×K | 750.83 | Joback Calculated Property |
| Cp,gas | 791.67 | J/mol×K | 782.12 | Joback Calculated Property |
| Cp,gas | 806.45 | J/mol×K | 813.41 | Joback Calculated Property |
| Cp,gas | 820.39 | J/mol×K | 844.69 | Joback Calculated Property |
| Cp,gas | 833.54 | J/mol×K | 875.98 | Joback Calculated Property |
| Cp,gas | 845.93 | J/mol×K | 907.27 | Joback Calculated Property |
| Cp,gas | 857.60 | J/mol×K | 938.56 | Joback Calculated Property |
| η | [0.0000692; 0.0011988] | Pa×s | [434.42; 750.83] |
|
| η | 0.0011988 | Pa×s | 434.42 | Joback Calculated Property |
| η | 0.0005763 | Pa×s | 487.16 | Joback Calculated Property |
| η | 0.0003196 | Pa×s | 539.89 | Joback Calculated Property |
| η | 0.0001969 | Pa×s | 592.62 | Joback Calculated Property |
| η | 0.0001313 | Pa×s | 645.36 | Joback Calculated Property |
| η | 0.0000930 | Pa×s | 698.10 | Joback Calculated Property |
| η | 0.0000692 | Pa×s | 750.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloroethyl tetradecanoate.
Sources
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