- InChI
- InChI=1S/C11H19Cl3O2/c1-2-3-4-5-6-7-8-10(15)16-9-11(12,13)14/h2-9H2,1H3
- InChI Key
- UNSPRHCUPSMXLE-UHFFFAOYSA-N
- Formula
- C11H19Cl3O2
- SMILES
- CCCCCCCCC(=O)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 289.63
- Other Names
-
- 2,2,2-Trichloroethyl nonanoate
- 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 | 0.6561 | Relay (1.0) Calculated Property | |
| ΔfG° | -225.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -627.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.650 | Crippen Calculated Property | |
| McVol | 210.010 | ml/mol | McGowan Calculated Property |
| Pc | 1857.91 | kPa | Joback Calculated Property |
| Inp | [1660.00; 1694.00] |
|
|
| Inp | 1679.00 | NIST | |
| Inp | 1676.00 | NIST | |
| Inp | 1678.00 | NIST | |
| Inp | 1674.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Inp | 1694.00 | NIST | |
| Inp | 1678.00 | NIST | |
| Inp | 1694.00 | NIST | |
| Inp | 1679.00 | NIST | |
| Inp | 1660.00 | NIST | |
| I | [2026.00; 2090.00] |
|
|
| I | 2026.00 | NIST | |
| I | 2045.00 | NIST | |
| I | 2040.00 | NIST | |
| I | 2065.00 | NIST | |
| I | 2058.00 | NIST | |
| I | 2090.00 | NIST | |
| I | 2039.00 | NIST | |
| I | 2039.00 | NIST | |
| I | 2026.00 | NIST | |
| I | 2090.00 | NIST | |
| Tboil | 550.21 | K | Relay (1.0) Calculated Property |
| Tc | 740.92 | K | Relay (1.0) Calculated Property |
| Tfus | 294.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.776 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [507.77; 577.68] | J/mol×K | [636.43; 830.26] |
|
| Cp,gas | 507.77 | J/mol×K | 636.43 | Joback Calculated Property |
| Cp,gas | 521.23 | J/mol×K | 668.74 | Joback Calculated Property |
| Cp,gas | 533.93 | J/mol×K | 701.04 | Joback Calculated Property |
| Cp,gas | 545.89 | J/mol×K | 733.35 | Joback Calculated Property |
| Cp,gas | 557.15 | J/mol×K | 765.65 | Joback Calculated Property |
| Cp,gas | 567.74 | J/mol×K | 797.96 | Joback Calculated Property |
| Cp,gas | 577.68 | J/mol×K | 830.26 | Joback Calculated Property |
| η | [0.0001454; 0.0020603] | Pa×s | [378.07; 636.43] |
|
| η | 0.0020603 | Pa×s | 378.07 | Joback Calculated Property |
| η | 0.0010567 | Pa×s | 421.13 | Joback Calculated Property |
| η | 0.0006134 | Pa×s | 464.19 | Joback Calculated Property |
| η | 0.0003905 | Pa×s | 507.25 | Joback Calculated Property |
| η | 0.0002668 | Pa×s | 550.31 | Joback Calculated Property |
| η | 0.0001927 | Pa×s | 593.37 | Joback Calculated Property |
| η | 0.0001454 | Pa×s | 636.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nonanoic acid, 2,2,2-trichloroethyl ester.
Sources
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