- InChI
- InChI=1S/C12H22Cl2O2/c13-10-8-6-4-2-1-3-5-7-9-12(15)16-11-14/h1-11H2
- InChI Key
- ZLIBDGLPYRUFEI-UHFFFAOYSA-N
- Formula
- C12H22Cl2O2
- SMILES
- O=C(CCCCCCCCCCCl)OCCl
- Molecular Weight1
- 269.21
- CAS
- 80418-97-9
- Other Names
-
- 11-Chloroundecanoic 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 | 0.7824 | Relay (1.0) Calculated Property | |
| ΔfG° | -207.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -660.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.476 | Crippen Calculated Property | |
| McVol | 211.860 | ml/mol | McGowan Calculated Property |
| Pc | 1739.01 | kPa | Joback Calculated Property |
| Inp | [1847.00; 1885.00] |
|
|
| Inp | 1847.00 | NIST | |
| Inp | 1885.00 | NIST | |
| Inp | 1856.00 | NIST | |
| Inp | 1861.00 | NIST | |
| I | [2471.00; 2502.00] |
|
|
| I | 2471.00 | NIST | |
| I | 2499.00 | NIST | |
| I | 2502.00 | NIST | |
| Tboil | 563.98 | K | Relay (1.0) Calculated Property |
| Tc | 765.21 | K | Relay (1.0) Calculated Property |
| Tfus | 293.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.794 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [527.01; 603.37] | J/mol×K | [625.11; 804.22] |
|
| Cp,gas | 527.01 | J/mol×K | 625.11 | Joback Calculated Property |
| Cp,gas | 541.35 | J/mol×K | 654.96 | Joback Calculated Property |
| Cp,gas | 555.02 | J/mol×K | 684.81 | Joback Calculated Property |
| Cp,gas | 568.05 | J/mol×K | 714.67 | Joback Calculated Property |
| Cp,gas | 580.44 | J/mol×K | 744.52 | Joback Calculated Property |
| Cp,gas | 592.21 | J/mol×K | 774.37 | Joback Calculated Property |
| Cp,gas | 603.37 | J/mol×K | 804.22 | Joback Calculated Property |
| η | [0.0001636; 0.0021690] | Pa×s | [357.00; 625.11] |
|
| η | 0.0021690 | Pa×s | 357.00 | Joback Calculated Property |
| η | 0.0011095 | Pa×s | 401.69 | Joback Calculated Property |
| η | 0.0006490 | Pa×s | 446.37 | Joback Calculated Property |
| η | 0.0004186 | Pa×s | 491.05 | Joback Calculated Property |
| η | 0.0002905 | Pa×s | 535.74 | Joback Calculated Property |
| η | 0.0002132 | Pa×s | 580.42 | Joback Calculated Property |
| η | 0.0001636 | Pa×s | 625.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloromethyl 11-chloroundecanoate.
Sources
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