- InChI
- InChI=1S/C8H12Cl4O2/c1-2-3-4-5-6(9)14-7(13)8(10,11)12/h6H,2-5H2,1H3
- InChI Key
- AOVWSGNPYRTMSO-UHFFFAOYSA-N
- Formula
- C8H12Cl4O2
- SMILES
- CCCCCC(Cl)OC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 281.99
- Other Names
-
- 1-Hexanol, 1-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 | 0.4930 | Relay (1.0) Calculated Property | |
| ΔfG° | -264.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -586.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.045 | Crippen Calculated Property | |
| McVol | 179.980 | ml/mol | McGowan Calculated Property |
| Pc | 2354.20 | kPa | Joback Calculated Property |
| Inp | [1393.00; 1447.00] |
|
|
| Inp | 1393.00 | NIST | |
| Inp | 1429.00 | NIST | |
| Inp | 1436.00 | NIST | |
| Inp | 1442.00 | NIST | |
| Inp | 1447.00 | NIST | |
| Inp | 1393.00 | NIST | |
| I | [1821.00; 1844.00] |
|
|
| I | 1821.00 | NIST | |
| I | 1829.00 | NIST | |
| I | 1844.00 | NIST | |
| I | 1821.00 | NIST | |
| Tboil | 514.49 | K | Relay (1.0) Calculated Property |
| Tc | 722.35 | K | Relay (1.0) Calculated Property |
| Tfus | 258.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.651 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [388.10; 443.01] | J/mol×K | [604.78; 814.70] |
|
| Cp,gas | 388.10 | J/mol×K | 604.78 | Joback Calculated Property |
| Cp,gas | 398.94 | J/mol×K | 639.77 | Joback Calculated Property |
| Cp,gas | 409.06 | J/mol×K | 674.75 | Joback Calculated Property |
| Cp,gas | 418.49 | J/mol×K | 709.74 | Joback Calculated Property |
| Cp,gas | 427.28 | J/mol×K | 744.73 | Joback Calculated Property |
| Cp,gas | 435.44 | J/mol×K | 779.72 | Joback Calculated Property |
| Cp,gas | 443.01 | J/mol×K | 814.70 | Joback Calculated Property |
| η | [0.0001819; 0.0027302] | Pa×s | [359.18; 604.78] |
|
| η | 0.0027302 | Pa×s | 359.18 | Joback Calculated Property |
| η | 0.0013799 | Pa×s | 400.11 | Joback Calculated Property |
| η | 0.0007916 | Pa×s | 441.05 | Joback Calculated Property |
| η | 0.0004991 | Pa×s | 481.98 | Joback Calculated Property |
| η | 0.0003382 | Pa×s | 522.91 | Joback Calculated Property |
| η | 0.0002425 | Pa×s | 563.85 | Joback Calculated Property |
| η | 0.0001819 | Pa×s | 604.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-chlorohexyl trichloroacetate.
Sources
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