- InChI
- InChI=1S/C14H25Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-13(18)19-12-14(15,16)17/h2-12H2,1H3
- InChI Key
- DZEDAIOKGLWUJP-UHFFFAOYSA-N
- Formula
- C14H25Cl3O2
- SMILES
- CCCCCCCCCCCC(=O)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 331.71
- Other Names
-
- 2,2,2-Trichloroethyl dodecanoate
- 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 | 0.7689 | Relay (1.0) Calculated Property | |
| ΔfG° | -199.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -691.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.821 | Crippen Calculated Property | |
| McVol | 252.280 | ml/mol | McGowan Calculated Property |
| Pc | 1470.23 | kPa | Joback Calculated Property |
| Inp | [1974.00; 2014.00] |
|
|
| Inp | 1976.00 | NIST | |
| Inp | 1977.00 | NIST | |
| Inp | 1977.00 | NIST | |
| Inp | 1974.00 | NIST | |
| Inp | 2014.00 | NIST | |
| Inp | 1977.00 | NIST | |
| Inp | 2014.00 | NIST | |
| I | [2326.00; 2386.00] |
|
|
| I | 2326.00 | NIST | |
| I | 2337.00 | NIST | |
| I | 2338.00 | NIST | |
| I | 2360.00 | NIST | |
| I | 2365.00 | NIST | |
| I | 2386.00 | NIST | |
| I | 2349.00 | NIST | |
| I | 2349.00 | NIST | |
| I | 2326.00 | NIST | |
| I | 2386.00 | NIST | |
| Tboil | 578.86 | K | Relay (1.0) Calculated Property |
| Tc | 774.73 | K | Relay (1.0) Calculated Property |
| Tfus | 308.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.944 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [665.06; 742.64] | J/mol×K | [705.07; 893.91] |
|
| Cp,gas | 665.06 | J/mol×K | 705.07 | Joback Calculated Property |
| Cp,gas | 679.96 | J/mol×K | 736.54 | Joback Calculated Property |
| Cp,gas | 694.02 | J/mol×K | 768.02 | Joback Calculated Property |
| Cp,gas | 707.28 | J/mol×K | 799.49 | Joback Calculated Property |
| Cp,gas | 719.78 | J/mol×K | 830.96 | Joback Calculated Property |
| Cp,gas | 731.56 | J/mol×K | 862.44 | Joback Calculated Property |
| Cp,gas | 742.64 | J/mol×K | 893.91 | Joback Calculated Property |
| η | [0.0000938; 0.0015087] | Pa×s | [411.88; 705.07] |
|
| η | 0.0015087 | Pa×s | 411.88 | Joback Calculated Property |
| η | 0.0007429 | Pa×s | 460.75 | Joback Calculated Property |
| η | 0.0004190 | Pa×s | 509.61 | Joback Calculated Property |
| η | 0.0002613 | Pa×s | 558.47 | Joback Calculated Property |
| η | 0.0001758 | Pa×s | 607.34 | Joback Calculated Property |
| η | 0.0001254 | Pa×s | 656.20 | Joback Calculated Property |
| η | 0.0000938 | Pa×s | 705.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dodecanoic acid, 2,2,2-trichloroethyl ester.
Sources
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