- InChI
- InChI=1S/C8H14Cl2O2/c1-2-3-7(10)4-5-12-8(11)6-9/h7H,2-6H2,1H3
- InChI Key
- ABTWQXRDOJPCBQ-UHFFFAOYSA-N
- Formula
- C8H14Cl2O2
- SMILES
- CCCC(Cl)CCOC(=O)CCl
- Molecular Weight1
- 213.10
- Other Names
-
- 1-Hexanol, 3-chloro, chloroacetate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -565.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.48 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.566 | Crippen Calculated Property | |
| McVol | 155.500 | ml/mol | McGowan Calculated Property |
| Inp | [1341.00; 1370.00] |
|
|
| Inp | 1341.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1369.00 | NIST | |
| Inp | 1368.00 | NIST | |
| Inp | 1370.00 | NIST | |
| I | [2033.00; 2042.00] |
|
|
| I | 2033.00 | NIST | |
| I | 2042.00 | NIST | |
| I | 2042.00 | NIST | |
| I | 2033.00 | NIST | |
| Tboil | 512.75 | K | Relay (1.0) Calculated Property |
| Tc | 709.23 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [330.79; 394.21] | J/mol×K | [515.28; 702.37] |
|
| Cp,gas | 330.79 | J/mol×K | 515.28 | Joback Calculated Property |
| Cp,gas | 342.74 | J/mol×K | 546.46 | Joback Calculated Property |
| Cp,gas | 354.12 | J/mol×K | 577.64 | Joback Calculated Property |
| Cp,gas | 364.95 | J/mol×K | 608.82 | Joback Calculated Property |
| Cp,gas | 375.24 | J/mol×K | 640.01 | Joback Calculated Property |
| Cp,gas | 384.99 | J/mol×K | 671.19 | Joback Calculated Property |
| Cp,gas | 394.21 | J/mol×K | 702.37 | Joback Calculated Property |
| η | [0.0002244; 0.0061273] | Pa×s | [267.09; 515.28] |
|
| η | 0.0061273 | Pa×s | 267.09 | Joback Calculated Property |
| η | 0.0024399 | Pa×s | 308.45 | Joback Calculated Property |
| η | 0.0012080 | Pa×s | 349.82 | Joback Calculated Property |
| η | 0.0006939 | Pa×s | 391.18 | Joback Calculated Property |
| η | 0.0004432 | Pa×s | 432.55 | Joback Calculated Property |
| η | 0.0003061 | Pa×s | 473.91 | Joback Calculated Property |
| η | 0.0002244 | Pa×s | 515.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-chlorohexyl chloroacetate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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