- InChI
- InChI=1S/C8H13Cl3O2/c9-5-3-1-2-4-6-13-8(12)7(10)11/h7H,1-6H2
- InChI Key
- NTHUGYDCPBABME-UHFFFAOYSA-N
- Formula
- C8H13Cl3O2
- SMILES
- O=C(OCCCCCCCl)C(Cl)Cl
- Molecular Weight1
- 247.55
- Other Names
-
- 1-Hexanol, 6-chloro, dichloroacetate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -255.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -505.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.33 | kJ/mol | Joback Calculated Property |
| log10WS | -3.10 | Crippen Calculated Property | |
| logPoct/wat | 3.133 | Crippen Calculated Property | |
| McVol | 167.740 | ml/mol | McGowan Calculated Property |
| Pc | 2395.87 | kPa | Joback Calculated Property |
| Inp | [1509.00; 1557.00] |
|
|
| Inp | 1509.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Inp | 1557.00 | NIST | |
| Inp | 1509.00 | NIST | |
| I | [2281.00; 2312.00] |
|
|
| I | 2281.00 | NIST | |
| I | 2300.00 | NIST | |
| I | 2312.00 | NIST | |
| I | 2281.00 | NIST | |
| Tboil | 570.58 | K | Joback Calculated Property |
| Tc | 765.02 | K | Joback Calculated Property |
| Tfus | 326.84 | K | Joback Calculated Property |
| Vc | 0.648 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.24; 418.47] | J/mol×K | [570.58; 765.02] |
|
| Cp,gas | 360.24 | J/mol×K | 570.58 | Joback Calculated Property |
| Cp,gas | 371.28 | J/mol×K | 602.99 | Joback Calculated Property |
| Cp,gas | 381.78 | J/mol×K | 635.39 | Joback Calculated Property |
| Cp,gas | 391.74 | J/mol×K | 667.80 | Joback Calculated Property |
| Cp,gas | 401.17 | J/mol×K | 700.21 | Joback Calculated Property |
| Cp,gas | 410.08 | J/mol×K | 732.61 | Joback Calculated Property |
| Cp,gas | 418.47 | J/mol×K | 765.02 | Joback Calculated Property |
| η | [0.0002252; 0.0030100] | Pa×s | [326.84; 570.58] |
|
| η | 0.0030100 | Pa×s | 326.84 | Joback Calculated Property |
| η | 0.0015387 | Pa×s | 367.46 | Joback Calculated Property |
| η | 0.0008990 | Pa×s | 408.09 | Joback Calculated Property |
| η | 0.0005789 | Pa×s | 448.71 | Joback Calculated Property |
| η | 0.0004011 | Pa×s | 489.33 | Joback Calculated Property |
| η | 0.0002939 | Pa×s | 529.96 | Joback Calculated Property |
| η | 0.0002252 | Pa×s | 570.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-chlorohexyl dichloroacetate.
Sources
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