- InChI
- InChI=1S/C6H10Cl2O/c7-5-3-1-2-4-6(8)9/h1-5H2
- InChI Key
- WZILXAPNPKMOSA-UHFFFAOYSA-N
- Formula
- C6H10Cl2O
- SMILES
- O=C(Cl)CCCCCCl
- Molecular Weight1
- 169.05
- Other Names
-
- Hexanoyl chloride, 6-chloro-
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -343.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.32 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.551 | Crippen Calculated Property | |
| McVol | 121.450 | ml/mol | McGowan Calculated Property |
| Tboil | 475.26 | K | Relay (1.0) Calculated Property |
| Tfus | 257.12 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [227.57; 277.52] | J/mol×K | [465.41; 656.83] | 
|
| Cp,gas | 227.57 | J/mol×K | 465.41 | Joback Calculated Property |
| Cp,gas | 236.97 | J/mol×K | 497.31 | Joback Calculated Property |
| Cp,gas | 245.93 | J/mol×K | 529.22 | Joback Calculated Property |
| Cp,gas | 254.45 | J/mol×K | 561.12 | Joback Calculated Property |
| Cp,gas | 262.55 | J/mol×K | 593.03 | Joback Calculated Property |
| Cp,gas | 270.23 | J/mol×K | 624.93 | Joback Calculated Property |
| Cp,gas | 277.52 | J/mol×K | 656.83 | Joback Calculated Property |
| η | [0.0003712; 0.0038339] | Pa×s | [267.15; 465.41] |
|
| η | 0.0038339 | Pa×s | 267.15 | Joback Calculated Property |
| η | 0.0020971 | Pa×s | 300.19 | Joback Calculated Property |
| η | 0.0012929 | Pa×s | 333.24 | Joback Calculated Property |
| η | 0.0008698 | Pa×s | 366.28 | Joback Calculated Property |
| η | 0.0006248 | Pa×s | 399.32 | Joback Calculated Property |
| η | 0.0004721 | Pa×s | 432.37 | Joback Calculated Property |
| η | 0.0003712 | Pa×s | 465.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Chlorohexanoyl chloride.
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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