- InChI
- InChI=1S/C12H22Cl2O2/c1-2-3-4-7-11(14)8-5-6-9-12(15)16-10-13/h11H,2-10H2,1H3
- InChI Key
- NHURGYSRXYAHKJ-UHFFFAOYSA-N
- Formula
- C12H22Cl2O2
- SMILES
- CCCCCC(Cl)CCCCC(=O)OCCl
- Molecular Weight1
- 269.21
- CAS
- 80418-92-4
- Other Names
-
- 6-Chloroundecanoic acid, chloromethyl ester
- 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° | -210.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -572.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.84 | kJ/mol | Joback Calculated Property |
| log10WS | -4.62 | Crippen Calculated Property | |
| logPoct/wat | 4.474 | Crippen Calculated Property | |
| McVol | 211.860 | ml/mol | McGowan Calculated Property |
| Pc | 1750.67 | kPa | Joback Calculated Property |
| Inp | [1770.00; 1796.00] |
|
|
| Inp | 1770.00 | NIST | |
| Inp | 1796.00 | NIST | |
| Inp | 1775.00 | NIST | |
| Inp | 1783.00 | NIST | |
| I | [2350.00; 2373.00] |
|
|
| I | 2350.00 | NIST | |
| I | 2369.00 | NIST | |
| I | 2373.00 | NIST | |
| I | 2350.00 | NIST | |
| Tboil | 624.67 | K | Joback Calculated Property |
| Tc | 806.72 | K | Joback Calculated Property |
| Tfus | 342.00 | K | Joback Calculated Property |
| Vc | 0.824 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [527.44; 605.03] | J/mol×K | [624.67; 806.72] |
|
| Cp,gas | 527.44 | J/mol×K | 624.67 | Joback Calculated Property |
| Cp,gas | 542.05 | J/mol×K | 655.01 | Joback Calculated Property |
| Cp,gas | 555.97 | J/mol×K | 685.35 | Joback Calculated Property |
| Cp,gas | 569.22 | J/mol×K | 715.70 | Joback Calculated Property |
| Cp,gas | 581.80 | J/mol×K | 746.04 | Joback Calculated Property |
| Cp,gas | 593.73 | J/mol×K | 776.38 | Joback Calculated Property |
| Cp,gas | 605.03 | J/mol×K | 806.72 | Joback Calculated Property |
| η | [0.0001524; 0.0027597] | Pa×s | [342.00; 624.67] |
|
| η | 0.0027597 | Pa×s | 342.00 | Joback Calculated Property |
| η | 0.0012714 | Pa×s | 389.11 | Joback Calculated Property |
| η | 0.0006925 | Pa×s | 436.22 | Joback Calculated Property |
| η | 0.0004246 | Pa×s | 483.33 | Joback Calculated Property |
| η | 0.0002840 | Pa×s | 530.45 | Joback Calculated Property |
| η | 0.0002028 | Pa×s | 577.56 | Joback Calculated Property |
| η | 0.0001524 | Pa×s | 624.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloromethyl 6-chloroundecanoate.
Sources
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