- InChI
- InChI=1S/C13H25ClO2/c1-16-13(15)11-9-7-5-3-2-4-6-8-10-12-14/h2-12H2,1H3
- InChI Key
- ULWCBDZJKRGIOK-UHFFFAOYSA-N
- Formula
- C13H25ClO2
- SMILES
- COC(=O)CCCCCCCCCCCCl
- Molecular Weight1
- 248.79
- 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 | 0.7592 | Relay (1.0) Calculated Property | |
| ΔfG° | -187.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -650.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.299 | Crippen Calculated Property | |
| McVol | 213.710 | ml/mol | McGowan Calculated Property |
| Pc | 1656.49 | kPa | Joback Calculated Property |
| Inp | [1769.00; 1769.00] |
|
|
| Inp | 1769.00 | NIST | |
| Inp | 1769.00 | NIST | |
| I | [2234.00; 2234.00] |
|
|
| I | 2234.00 | NIST | |
| I | 2234.00 | NIST | |
| Tboil | 553.82 | K | Relay (1.0) Calculated Property |
| Tc | 749.35 | K | Relay (1.0) Calculated Property |
| Tfus | 290.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.809 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [547.83; 631.77] | J/mol×K | [610.56; 784.07] |
|
| Cp,gas | 547.83 | J/mol×K | 610.56 | Joback Calculated Property |
| Cp,gas | 563.46 | J/mol×K | 639.48 | Joback Calculated Property |
| Cp,gas | 578.43 | J/mol×K | 668.40 | Joback Calculated Property |
| Cp,gas | 592.72 | J/mol×K | 697.32 | Joback Calculated Property |
| Cp,gas | 606.37 | J/mol×K | 726.24 | Joback Calculated Property |
| Cp,gas | 619.38 | J/mol×K | 755.15 | Joback Calculated Property |
| Cp,gas | 631.77 | J/mol×K | 784.07 | Joback Calculated Property |
| η | [0.0001590; 0.0024461] | Pa×s | [338.35; 610.56] |
|
| η | 0.0024461 | Pa×s | 338.35 | Joback Calculated Property |
| η | 0.0011849 | Pa×s | 383.72 | Joback Calculated Property |
| η | 0.0006691 | Pa×s | 429.09 | Joback Calculated Property |
| η | 0.0004215 | Pa×s | 474.45 | Joback Calculated Property |
| η | 0.0002878 | Pa×s | 519.82 | Joback Calculated Property |
| η | 0.0002089 | Pa×s | 565.19 | Joback Calculated Property |
| η | 0.0001590 | Pa×s | 610.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 12-Chlorododecanoic acid, methyl ester.
Sources
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