- InChI
- InChI=1S/C17H31Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(21)22-15-17(18,19)20/h2-15H2,1H3
- InChI Key
- BZZHDMKALRSLCY-UHFFFAOYSA-N
- Formula
- C17H31Cl3O2
- SMILES
-
CCCCCCCCCCCCCCC(=O)OCC(Cl)(Cl)
Cl - Molecular Weight1
- 373.79
- 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 | 0.8771 | Relay (1.0) Calculated Property | |
| ΔfG° | -174.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -755.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.991 | Crippen Calculated Property | |
| McVol | 294.550 | ml/mol | McGowan Calculated Property |
| Pc | 1192.35 | kPa | Joback Calculated Property |
| Inp | [2274.00; 2278.00] |
|
|
| Inp | 2276.00 | NIST | |
| Inp | 2278.00 | NIST | |
| Inp | 2274.00 | NIST | |
| Inp | 2274.00 | NIST | |
| I | [2638.00; 2682.00] |
|
|
| I | 2638.00 | NIST | |
| I | 2646.00 | NIST | |
| I | 2664.00 | NIST | |
| I | 2670.00 | NIST | |
| I | 2682.00 | NIST | |
| I | 2666.00 | NIST | |
| I | 2666.00 | NIST | |
| I | 2638.00 | NIST | |
| Tboil | 601.67 | K | Relay (1.0) Calculated Property |
| Tc | 801.96 | K | Relay (1.0) Calculated Property |
| Tfus | 319.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.111 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [833.09; 916.52] | J/mol×K | [773.71; 961.69] |
|
| Cp,gas | 833.09 | J/mol×K | 773.71 | Joback Calculated Property |
| Cp,gas | 849.11 | J/mol×K | 805.04 | Joback Calculated Property |
| Cp,gas | 864.22 | J/mol×K | 836.37 | Joback Calculated Property |
| Cp,gas | 878.48 | J/mol×K | 867.70 | Joback Calculated Property |
| Cp,gas | 891.92 | J/mol×K | 899.03 | Joback Calculated Property |
| Cp,gas | 904.58 | J/mol×K | 930.36 | Joback Calculated Property |
| Cp,gas | 916.52 | J/mol×K | 961.69 | Joback Calculated Property |
| η | [0.0000593; 0.0010626] | Pa×s | [445.69; 773.71] |
|
| η | 0.0010626 | Pa×s | 445.69 | Joback Calculated Property |
| η | 0.0005051 | Pa×s | 500.36 | Joback Calculated Property |
| η | 0.0002780 | Pa×s | 555.03 | Joback Calculated Property |
| η | 0.0001703 | Pa×s | 609.70 | Joback Calculated Property |
| η | 0.0001131 | Pa×s | 664.37 | Joback Calculated Property |
| η | 0.0000799 | Pa×s | 719.04 | Joback Calculated Property |
| η | 0.0000593 | Pa×s | 773.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloroethyl pentadecanoate.
Sources
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