- InChI
- InChI=1S/C7H12Cl2O2/c8-5-3-1-2-4-7(10)11-6-9/h1-6H2
- InChI Key
- NFZSDYANLAMKQW-UHFFFAOYSA-N
- Formula
- C7H12Cl2O2
- SMILES
- O=C(CCCCCCl)OCCl
- Molecular Weight1
- 199.07
- CAS
- 80418-57-1
- Other Names
-
- 6-Chlorohexanoic acid, chloromethyl ester
- 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 | 0.5993 | Relay (1.0) Calculated Property | |
| ΔfG° | -249.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -552.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.525 | Crippen Calculated Property | |
| McVol | 141.410 | ml/mol | McGowan Calculated Property |
| Pc | 2718.33 | kPa | Joback Calculated Property |
| Inp | [1320.00; 1341.00] |
|
|
| Inp | 1320.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1337.00 | NIST | |
| Inp | 1327.00 | NIST | |
| I | [1961.00; 2002.00] |
|
|
| I | 1961.00 | NIST | |
| I | 1979.00 | NIST | |
| I | 2002.00 | NIST | |
| Tboil | 505.88 | K | Relay (1.0) Calculated Property |
| Tc | 703.43 | K | Relay (1.0) Calculated Property |
| Tfus | 250.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.516 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.67; 346.35] | J/mol×K | [510.71; 698.85] |
|
| Cp,gas | 290.67 | J/mol×K | 510.71 | Joback Calculated Property |
| Cp,gas | 301.04 | J/mol×K | 542.07 | Joback Calculated Property |
| Cp,gas | 310.97 | J/mol×K | 573.42 | Joback Calculated Property |
| Cp,gas | 320.46 | J/mol×K | 604.78 | Joback Calculated Property |
| Cp,gas | 329.52 | J/mol×K | 636.14 | Joback Calculated Property |
| Cp,gas | 338.15 | J/mol×K | 667.50 | Joback Calculated Property |
| Cp,gas | 346.35 | J/mol×K | 698.85 | Joback Calculated Property |
| η | [0.0002814; 0.0028037] | Pa×s | [300.65; 510.71] |
|
| η | 0.0028037 | Pa×s | 300.65 | Joback Calculated Property |
| η | 0.0015651 | Pa×s | 335.66 | Joback Calculated Property |
| η | 0.0009754 | Pa×s | 370.67 | Joback Calculated Property |
| η | 0.0006596 | Pa×s | 405.68 | Joback Calculated Property |
| η | 0.0004746 | Pa×s | 440.69 | Joback Calculated Property |
| η | 0.0003585 | Pa×s | 475.70 | Joback Calculated Property |
| η | 0.0002814 | Pa×s | 510.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloromethyl 6-chlorohexanoate.
Sources
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