- InChI
- InChI=1S/C11H20Cl2O2/c1-10(13)7-5-3-2-4-6-8-11(14)15-9-12/h10H,2-9H2,1H3
- InChI Key
- KPSTVHFMJIDEGU-UHFFFAOYSA-N
- Formula
- C11H20Cl2O2
- SMILES
- CC(Cl)CCCCCCCC(=O)OCCl
- Molecular Weight1
- 255.18
- CAS
- 80418-86-6
- Other Names
-
- 9-Chlorodecanoic 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° | -218.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -551.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.62 | kJ/mol | Joback Calculated Property |
| log10WS | -4.20 | Crippen Calculated Property | |
| logPoct/wat | 4.084 | Crippen Calculated Property | |
| McVol | 197.770 | ml/mol | McGowan Calculated Property |
| Pc | 1900.26 | kPa | Joback Calculated Property |
| Inp | [1696.00; 1719.00] |
|
|
| Inp | 1696.00 | NIST | |
| Inp | 1719.00 | NIST | |
| Inp | 1704.00 | NIST | |
| Inp | 1709.00 | NIST | |
| Inp | 1696.00 | NIST | |
| I | [2274.00; 2321.00] |
|
|
| I | 2274.00 | NIST | |
| I | 2299.00 | NIST | |
| I | 2321.00 | NIST | |
| I | 2320.00 | NIST | |
| I | 2274.00 | NIST | |
| Tboil | 601.79 | K | Joback Calculated Property |
| Tc | 785.44 | K | Joback Calculated Property |
| Tfus | 330.73 | K | Joback Calculated Property |
| Vc | 0.767 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [476.80; 551.25] | J/mol×K | [601.79; 785.44] |
|
| Cp,gas | 476.80 | J/mol×K | 601.79 | Joback Calculated Property |
| Cp,gas | 490.81 | J/mol×K | 632.40 | Joback Calculated Property |
| Cp,gas | 504.16 | J/mol×K | 663.01 | Joback Calculated Property |
| Cp,gas | 516.86 | J/mol×K | 693.62 | Joback Calculated Property |
| Cp,gas | 528.94 | J/mol×K | 724.22 | Joback Calculated Property |
| Cp,gas | 540.40 | J/mol×K | 754.83 | Joback Calculated Property |
| Cp,gas | 551.25 | J/mol×K | 785.44 | Joback Calculated Property |
| η | [0.0001722; 0.0029863] | Pa×s | [330.73; 601.79] |
|
| η | 0.0029863 | Pa×s | 330.73 | Joback Calculated Property |
| η | 0.0013948 | Pa×s | 375.91 | Joback Calculated Property |
| η | 0.0007671 | Pa×s | 421.08 | Joback Calculated Property |
| η | 0.0004737 | Pa×s | 466.26 | Joback Calculated Property |
| η | 0.0003185 | Pa×s | 511.44 | Joback Calculated Property |
| η | 0.0002284 | Pa×s | 556.61 | Joback Calculated Property |
| η | 0.0001722 | Pa×s | 601.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloromethyl 9-chlorodecanoate.
Sources
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