- InChI
- InChI=1S/C10H16Cl4O2/c1-2-8(11)6-4-3-5-7-16-9(15)10(12,13)14/h8H,2-7H2,1H3
- InChI Key
- VOIYMCGTBCBIGL-UHFFFAOYSA-N
- Formula
- C10H16Cl4O2
- SMILES
- CCC(Cl)CCCCCOC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 310.05
- Other Names
-
- 1-Octanol, 6-chloro, trichloroacetate
- 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 | 0.5838 | Relay (1.0) Calculated Property | |
| ΔfG° | -247.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -614.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.478 | Crippen Calculated Property | |
| McVol | 208.160 | ml/mol | McGowan Calculated Property |
| Pc | 1970.05 | kPa | Joback Calculated Property |
| Inp | [1753.00; 1789.00] |
|
|
| Inp | 1753.00 | NIST | |
| Inp | 1766.00 | NIST | |
| Inp | 1778.00 | NIST | |
| Inp | 1789.00 | NIST | |
| I | [2345.00; 2387.00] |
|
|
| I | 2345.00 | NIST | |
| I | 2369.00 | NIST | |
| I | 2387.00 | NIST | |
| I | 2345.00 | NIST | |
| Tboil | 553.63 | K | Relay (1.0) Calculated Property |
| Tc | 756.94 | K | Relay (1.0) Calculated Property |
| Tfus | 278.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.749 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.42; 546.84] | J/mol×K | [650.54; 854.25] |
|
| Cp,gas | 484.42 | J/mol×K | 650.54 | Joback Calculated Property |
| Cp,gas | 496.64 | J/mol×K | 684.49 | Joback Calculated Property |
| Cp,gas | 508.09 | J/mol×K | 718.44 | Joback Calculated Property |
| Cp,gas | 518.80 | J/mol×K | 752.39 | Joback Calculated Property |
| Cp,gas | 528.80 | J/mol×K | 786.35 | Joback Calculated Property |
| Cp,gas | 538.14 | J/mol×K | 820.30 | Joback Calculated Property |
| Cp,gas | 546.84 | J/mol×K | 854.25 | Joback Calculated Property |
| η | [0.0001358; 0.0022272] | Pa×s | [381.72; 650.54] |
|
| η | 0.0022272 | Pa×s | 381.72 | Joback Calculated Property |
| η | 0.0010938 | Pa×s | 426.52 | Joback Calculated Property |
| η | 0.0006150 | Pa×s | 471.33 | Joback Calculated Property |
| η | 0.0003821 | Pa×s | 516.13 | Joback Calculated Property |
| η | 0.0002562 | Pa×s | 560.93 | Joback Calculated Property |
| η | 0.0001822 | Pa×s | 605.74 | Joback Calculated Property |
| η | 0.0001358 | Pa×s | 650.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-chlorooctyl trichloroacetate.
Sources
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