- InChI
- InChI=1S/C13H21ClO4/c1-3-4-5-6-9-17-12(15)7-8-13(16)18-10-11(2)14/h7-8,11H,3-6,9-10H2,1-2H3/b8-7+
- InChI Key
- IXVHEHRRSGIADG-BQYQJAHWSA-N
- Formula
- C13H21ClO4
- SMILES
- CCCCCCOC(=O)C=CC(=O)OCC(C)Cl
- Molecular Weight1
- 276.76
- 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° | -343.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -705.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.80 | kJ/mol | Joback Calculated Property |
| log10WS | -3.11 | Crippen Calculated Property | |
| logPoct/wat | 2.837 | Crippen Calculated Property | |
| McVol | 216.850 | ml/mol | McGowan Calculated Property |
| Pc | 1809.23 | kPa | Joback Calculated Property |
| Inp | 1869.00 | NIST | |
| Tboil | 690.57 | K | Joback Calculated Property |
| Tc | 879.81 | K | Joback Calculated Property |
| Tfus | 390.43 | K | Joback Calculated Property |
| Vc | 0.835 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.14; 649.56] | J/mol×K | [690.57; 879.81] | 
|
| Cp,gas | 576.14 | J/mol×K | 690.57 | Joback Calculated Property |
| Cp,gas | 590.21 | J/mol×K | 722.11 | Joback Calculated Property |
| Cp,gas | 603.52 | J/mol×K | 753.65 | Joback Calculated Property |
| Cp,gas | 616.10 | J/mol×K | 785.19 | Joback Calculated Property |
| Cp,gas | 627.95 | J/mol×K | 816.73 | Joback Calculated Property |
| Cp,gas | 639.10 | J/mol×K | 848.27 | Joback Calculated Property |
| Cp,gas | 649.56 | J/mol×K | 879.81 | Joback Calculated Property |
| η | [0.0000974; 0.0015002] | Pa×s | [390.43; 690.57] |
|
| η | 0.0015002 | Pa×s | 390.43 | Joback Calculated Property |
| η | 0.0007342 | Pa×s | 440.45 | Joback Calculated Property |
| η | 0.0004157 | Pa×s | 490.48 | Joback Calculated Property |
| η | 0.0002615 | Pa×s | 540.50 | Joback Calculated Property |
| η | 0.0001779 | Pa×s | 590.52 | Joback Calculated Property |
| η | 0.0001286 | Pa×s | 640.55 | Joback Calculated Property |
| η | 0.0000974 | Pa×s | 690.57 | Joback Calculated Property |
Similar Compounds
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Sources
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