- InChI
- InChI=1S/C10H17Cl3O2/c11-7-5-3-1-2-4-6-8-15-10(14)9(12)13/h9H,1-8H2
- InChI Key
- FDJHTHGSNGTWSO-UHFFFAOYSA-N
- Formula
- C10H17Cl3O2
- SMILES
- O=C(OCCCCCCCCCl)C(Cl)Cl
- Molecular Weight1
- 275.60
- Other Names
-
- 1-Octanol, 8-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 | 0.6960 | Relay (1.0) Calculated Property | |
| ΔfG° | -238.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -610.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.913 | Crippen Calculated Property | |
| McVol | 195.920 | ml/mol | McGowan Calculated Property |
| Pc | 2001.91 | kPa | Joback Calculated Property |
| Inp | [1736.00; 1774.00] |
|
|
| Inp | 1736.00 | NIST | |
| Inp | 1774.00 | NIST | |
| Inp | 1754.00 | NIST | |
| Inp | 1761.00 | NIST | |
| Inp | 1736.00 | NIST | |
| I | [2470.00; 2506.00] |
|
|
| I | 2470.00 | NIST | |
| I | 2491.00 | NIST | |
| I | 2506.00 | NIST | |
| I | 2470.00 | NIST | |
| Tboil | 545.62 | K | Relay (1.0) Calculated Property |
| Tc | 763.81 | K | Relay (1.0) Calculated Property |
| Tfus | 285.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.718 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.20; 521.52] | J/mol×K | [616.34; 806.15] |
|
| Cp,gas | 455.20 | J/mol×K | 616.34 | Joback Calculated Property |
| Cp,gas | 467.80 | J/mol×K | 647.97 | Joback Calculated Property |
| Cp,gas | 479.77 | J/mol×K | 679.61 | Joback Calculated Property |
| Cp,gas | 491.10 | J/mol×K | 711.24 | Joback Calculated Property |
| Cp,gas | 501.83 | J/mol×K | 742.88 | Joback Calculated Property |
| Cp,gas | 511.97 | J/mol×K | 774.51 | Joback Calculated Property |
| Cp,gas | 521.52 | J/mol×K | 806.15 | Joback Calculated Property |
| η | [0.0001766; 0.0026084] | Pa×s | [349.38; 616.34] |
|
| η | 0.0026084 | Pa×s | 349.38 | Joback Calculated Property |
| η | 0.0012923 | Pa×s | 393.87 | Joback Calculated Property |
| η | 0.0007384 | Pa×s | 438.37 | Joback Calculated Property |
| η | 0.0004677 | Pa×s | 482.86 | Joback Calculated Property |
| η | 0.0003200 | Pa×s | 527.35 | Joback Calculated Property |
| η | 0.0002323 | Pa×s | 571.85 | Joback Calculated Property |
| η | 0.0001766 | Pa×s | 616.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8-chlorooctyl dichloroacetate.
Sources
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