- InChI
- InChI=1S/C13H24Cl2O2/c1-2-3-4-5-6-7-8-9-12(15)10-13(16)17-11-14/h12H,2-11H2,1H3
- InChI Key
- GQHFPKLBEGPYQL-UHFFFAOYSA-N
- Formula
- C13H24Cl2O2
- SMILES
- CCCCCCCCCC(Cl)CC(=O)OCCl
- Molecular Weight1
- 283.23
- CAS
- 80418-99-1
- Other Names
-
- 3-Chlorododecanoic 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° | -201.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -593.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.07 | kJ/mol | Joback Calculated Property |
| log10WS | -5.04 | Crippen Calculated Property | |
| logPoct/wat | 4.864 | Crippen Calculated Property | |
| McVol | 225.950 | ml/mol | McGowan Calculated Property |
| Pc | 1618.07 | kPa | Joback Calculated Property |
| Inp | [1826.00; 1860.00] |
|
|
| Inp | 1826.00 | NIST | |
| Inp | 1860.00 | NIST | |
| Inp | 1834.00 | NIST | |
| Inp | 1837.00 | NIST | |
| Inp | 1826.00 | NIST | |
| I | [2371.00; 2391.00] |
|
|
| I | 2371.00 | NIST | |
| I | 2387.00 | NIST | |
| I | 2391.00 | NIST | |
| I | 2371.00 | NIST | |
| Tboil | 647.55 | K | Joback Calculated Property |
| Tc | 828.32 | K | Joback Calculated Property |
| Tfus | 353.27 | K | Joback Calculated Property |
| Vc | 0.879 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [579.55; 659.91] | J/mol×K | [647.55; 828.32] |
|
| Cp,gas | 579.55 | J/mol×K | 647.55 | Joback Calculated Property |
| Cp,gas | 594.71 | J/mol×K | 677.68 | Joback Calculated Property |
| Cp,gas | 609.14 | J/mol×K | 707.81 | Joback Calculated Property |
| Cp,gas | 622.86 | J/mol×K | 737.94 | Joback Calculated Property |
| Cp,gas | 635.88 | J/mol×K | 768.06 | Joback Calculated Property |
| Cp,gas | 648.22 | J/mol×K | 798.19 | Joback Calculated Property |
| Cp,gas | 659.91 | J/mol×K | 828.32 | Joback Calculated Property |
| η | [0.0001343; 0.0025326] | Pa×s | [353.27; 647.55] |
|
| η | 0.0025326 | Pa×s | 353.27 | Joback Calculated Property |
| η | 0.0011518 | Pa×s | 402.32 | Joback Calculated Property |
| η | 0.0006217 | Pa×s | 451.36 | Joback Calculated Property |
| η | 0.0003786 | Pa×s | 500.41 | Joback Calculated Property |
| η | 0.0002520 | Pa×s | 549.46 | Joback Calculated Property |
| η | 0.0001792 | Pa×s | 598.50 | Joback Calculated Property |
| η | 0.0001343 | Pa×s | 647.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloromethyl 3-chlorododecanoate.
Sources
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