- InChI
- InChI=1S/C13H23ClO4/c1-10(2)5-4-8-17-12(15)6-7-13(16)18-9-11(3)14/h10-11H,4-9H2,1-3H3
- InChI Key
- WCTQPSDQUVPTMD-UHFFFAOYSA-N
- Formula
- C13H23ClO4
- SMILES
- CC(C)CCCOC(=O)CCC(=O)OCC(C)Cl
- Molecular Weight1
- 278.77
- 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.
- 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° | -426.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -827.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.45 | kJ/mol | Joback Calculated Property |
| log10WS | -3.01 | Crippen Calculated Property | |
| logPoct/wat | 2.916 | Crippen Calculated Property | |
| McVol | 221.150 | ml/mol | McGowan Calculated Property |
| Pc | 1743.37 | kPa | Joback Calculated Property |
| Inp | [1799.00; 1799.00] |
|
|
| Inp | 1799.00 | NIST | |
| Inp | 1799.00 | NIST | |
| Tboil | 685.97 | K | Joback Calculated Property |
| Tc | 872.11 | K | Joback Calculated Property |
| Tfus | 380.51 | K | Joback Calculated Property |
| Vc | 0.849 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [599.34; 676.82] | J/mol×K | [685.97; 872.11] |
|
| Cp,gas | 599.34 | J/mol×K | 685.97 | Joback Calculated Property |
| Cp,gas | 614.16 | J/mol×K | 716.99 | Joback Calculated Property |
| Cp,gas | 628.21 | J/mol×K | 748.02 | Joback Calculated Property |
| Cp,gas | 641.50 | J/mol×K | 779.04 | Joback Calculated Property |
| Cp,gas | 654.03 | J/mol×K | 810.06 | Joback Calculated Property |
| Cp,gas | 665.80 | J/mol×K | 841.09 | Joback Calculated Property |
| Cp,gas | 676.82 | J/mol×K | 872.11 | Joback Calculated Property |
| η | [0.0001048; 0.0019951] | Pa×s | [380.51; 685.97] |
|
| η | 0.0019951 | Pa×s | 380.51 | Joback Calculated Property |
| η | 0.0009137 | Pa×s | 431.42 | Joback Calculated Property |
| η | 0.0004935 | Pa×s | 482.33 | Joback Calculated Property |
| η | 0.0002998 | Pa×s | 533.24 | Joback Calculated Property |
| η | 0.0001986 | Pa×s | 584.15 | Joback Calculated Property |
| η | 0.0001406 | Pa×s | 635.06 | Joback Calculated Property |
| η | 0.0001048 | Pa×s | 685.97 | Joback Calculated Property |
Similar Compounds
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Sources
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