- InChI
- InChI=1S/C13H24Cl2O2/c14-11-9-7-5-3-1-2-4-6-8-10-13(16)17-12-15/h1-12H2
- InChI Key
- RHQDLXULLWJVQL-UHFFFAOYSA-N
- Formula
- C13H24Cl2O2
- SMILES
- O=C(CCCCCCCCCCCCl)OCCl
- Molecular Weight1
- 283.23
- 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 | 0.8182 | Relay (1.0) Calculated Property | |
| ΔfG° | -199.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -682.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.866 | Crippen Calculated Property | |
| McVol | 225.950 | ml/mol | McGowan Calculated Property |
| Pc | 1607.71 | kPa | Joback Calculated Property |
| Inp | [1947.00; 2005.00] |
|
|
| Inp | 1947.00 | NIST | |
| Inp | 2005.00 | NIST | |
| Inp | 1958.00 | NIST | |
| Inp | 1960.00 | NIST | |
| I | [2567.00; 2601.00] |
|
|
| I | 2567.00 | NIST | |
| I | 2597.00 | NIST | |
| I | 2601.00 | NIST | |
| Tboil | 571.74 | K | Relay (1.0) Calculated Property |
| Tc | 774.54 | K | Relay (1.0) Calculated Property |
| Tfus | 299.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.849 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [579.10; 658.31] | J/mol×K | [647.99; 826.05] |
|
| Cp,gas | 579.10 | J/mol×K | 647.99 | Joback Calculated Property |
| Cp,gas | 594.00 | J/mol×K | 677.67 | Joback Calculated Property |
| Cp,gas | 608.19 | J/mol×K | 707.34 | Joback Calculated Property |
| Cp,gas | 621.71 | J/mol×K | 737.02 | Joback Calculated Property |
| Cp,gas | 634.55 | J/mol×K | 766.70 | Joback Calculated Property |
| Cp,gas | 646.75 | J/mol×K | 796.37 | Joback Calculated Property |
| Cp,gas | 658.31 | J/mol×K | 826.05 | Joback Calculated Property |
| η | [0.0001445; 0.0020083] | Pa×s | [368.27; 647.99] |
|
| η | 0.0020083 | Pa×s | 368.27 | Joback Calculated Property |
| η | 0.0010123 | Pa×s | 414.89 | Joback Calculated Property |
| η | 0.0005859 | Pa×s | 461.51 | Joback Calculated Property |
| η | 0.0003750 | Pa×s | 508.13 | Joback Calculated Property |
| η | 0.0002586 | Pa×s | 554.75 | Joback Calculated Property |
| η | 0.0001890 | Pa×s | 601.37 | Joback Calculated Property |
| η | 0.0001445 | Pa×s | 647.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 12-Chlorododecanoic acid, chloromethyl ester.
Sources
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