- InChI
- InChI=1S/C8H13Cl3O2/c1-2-6(9)4-3-5-13-8(12)7(10)11/h6-7H,2-5H2,1H3
- InChI Key
- OTYGMLILXJIMJM-UHFFFAOYSA-N
- Formula
- C8H13Cl3O2
- SMILES
- CCC(Cl)CCCOC(=O)C(Cl)Cl
- Molecular Weight1
- 247.55
- Other Names
-
- 1-Hexanol, 4-chloro, dichloroacetate
- 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 | 0.5529 | Relay (1.0) Calculated Property | |
| ΔfG° | -258.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -587.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.131 | Crippen Calculated Property | |
| McVol | 167.740 | ml/mol | McGowan Calculated Property |
| Pc | 2414.74 | kPa | Joback Calculated Property |
| Inp | [1442.00; 1485.00] |
|
|
| Inp | 1442.00 | NIST | |
| Inp | 1468.00 | NIST | |
| Inp | 1468.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1442.00 | NIST | |
| I | [2153.00; 2175.00] |
|
|
| I | 2153.00 | NIST | |
| I | 2169.00 | NIST | |
| I | 2175.00 | NIST | |
| Tboil | 520.04 | K | Relay (1.0) Calculated Property |
| Tc | 723.28 | K | Relay (1.0) Calculated Property |
| Tfus | 265.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.596 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.64; 420.09] | J/mol×K | [570.14; 768.49] |
|
| Cp,gas | 360.64 | J/mol×K | 570.14 | Joback Calculated Property |
| Cp,gas | 371.97 | J/mol×K | 603.20 | Joback Calculated Property |
| Cp,gas | 382.72 | J/mol×K | 636.26 | Joback Calculated Property |
| Cp,gas | 392.89 | J/mol×K | 669.32 | Joback Calculated Property |
| Cp,gas | 402.51 | J/mol×K | 702.37 | Joback Calculated Property |
| Cp,gas | 411.57 | J/mol×K | 735.43 | Joback Calculated Property |
| Cp,gas | 420.09 | J/mol×K | 768.49 | Joback Calculated Property |
| η | [0.0002110; 0.0039796] | Pa×s | [311.84; 570.14] |
|
| η | 0.0039796 | Pa×s | 311.84 | Joback Calculated Property |
| η | 0.0018126 | Pa×s | 354.89 | Joback Calculated Property |
| η | 0.0009788 | Pa×s | 397.94 | Joback Calculated Property |
| η | 0.0005961 | Pa×s | 440.99 | Joback Calculated Property |
| η | 0.0003965 | Pa×s | 484.04 | Joback Calculated Property |
| η | 0.0002819 | Pa×s | 527.09 | Joback Calculated Property |
| η | 0.0002110 | Pa×s | 570.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-chlorohexyl dichloroacetate.
Sources
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