- InChI
- InChI=1S/C11H20Cl2O2/c1-2-3-4-5-6-7-10(13)8-11(14)15-9-12/h10H,2-9H2,1H3
- InChI Key
- MQXLUSRAEHYPSD-UHFFFAOYSA-N
- Formula
- C11H20Cl2O2
- SMILES
- CCCCCCCC(Cl)CC(=O)OCCl
- Molecular Weight1
- 255.18
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -640.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.01 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.084 | Crippen Calculated Property | |
| McVol | 197.770 | ml/mol | McGowan Calculated Property |
| Inp | [1625.00; 1636.00] |
|
|
| Inp | 1625.00 | NIST | |
| Inp | 1636.00 | NIST | |
| Inp | 1628.00 | NIST | |
| Inp | 1636.00 | NIST | |
| I | [2155.00; 2189.00] |
|
|
| I | 2155.00 | NIST | |
| I | 2173.00 | NIST | |
| I | 2185.00 | NIST | |
| I | 2189.00 | NIST | |
| Tboil | 542.89 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.67; 612.02] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.23980e+01 | |||
| Coefficient B | 1.01352e+00 | |||
| Coefficient C | -5.24000e-04 | |||
| Coefficient D | 8.01000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 281.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 338.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 390.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 436.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 477.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 513.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 544.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 571.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 593.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 612.02 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0047743; 0.0002189] | Pa×s | [300.90; 535.62] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.23780e+01 | |||
| Coefficient B | 2.11638e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 300.90 | |||
| Temperature range, max. | 535.62 | |||
| η | 0.0047743 | Pa×s | 300.90 | Calculated Property |
| η | 0.0027244 | Pa×s | 326.98 | Calculated Property |
| η | 0.0016890 | Pa×s | 353.06 | Calculated Property |
| η | 0.0011183 | Pa×s | 379.14 | Calculated Property |
| η | 0.0007808 | Pa×s | 405.22 | Calculated Property |
| η | 0.0005693 | Pa×s | 431.30 | Calculated Property |
| η | 0.0004304 | Pa×s | 457.38 | Calculated Property |
| η | 0.0003353 | Pa×s | 483.46 | Calculated Property |
| η | 0.0002680 | Pa×s | 509.54 | Calculated Property |
| η | 0.0002189 | Pa×s | 535.62 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorodecanoic acid, chloromethyl ester.
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
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