- InChI
- InChI=1S/C17H23ClO5/c1-13(2)4-3-9-22-16(19)11-21-12-17(20)23-10-14-5-7-15(18)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3
- InChI Key
- JKTPPCJQHBFJMF-UHFFFAOYSA-N
- Formula
- C17H23ClO5
- SMILES
-
CC(C)CCCOC(=O)COCC(=O)OCc1ccc(
Cl)cc1 - Molecular Weight1
- 342.81
- 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° | -392.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -811.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.09 | kJ/mol | Joback Calculated Property |
| log10WS | -3.79 | Crippen Calculated Property | |
| logPoct/wat | 3.379 | Crippen Calculated Property | |
| McVol | 259.620 | ml/mol | McGowan Calculated Property |
| Pc | 1615.47 | kPa | Joback Calculated Property |
| Inp | [3070.00; 3070.00] |
|
|
| Inp | 3070.00 | NIST | |
| Inp | 3070.00 | NIST | |
| Tboil | 832.01 | K | Joback Calculated Property |
| Tc | 1038.87 | K | Joback Calculated Property |
| Tfus | 501.76 | K | Joback Calculated Property |
| Vc | 0.989 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [759.60; 826.72] | J/mol×K | [832.01; 1038.87] |
|
| Cp,gas | 759.60 | J/mol×K | 832.01 | Joback Calculated Property |
| Cp,gas | 773.58 | J/mol×K | 866.49 | Joback Calculated Property |
| Cp,gas | 786.43 | J/mol×K | 900.96 | Joback Calculated Property |
| Cp,gas | 798.17 | J/mol×K | 935.44 | Joback Calculated Property |
| Cp,gas | 808.79 | J/mol×K | 969.92 | Joback Calculated Property |
| Cp,gas | 818.31 | J/mol×K | 1004.39 | Joback Calculated Property |
| Cp,gas | 826.72 | J/mol×K | 1038.87 | Joback Calculated Property |
| η | [0.0000498; 0.0005186] | Pa×s | [501.76; 832.01] |
|
| η | 0.0005186 | Pa×s | 501.76 | Joback Calculated Property |
| η | 0.0002894 | Pa×s | 556.80 | Joback Calculated Property |
| η | 0.0001794 | Pa×s | 611.84 | Joback Calculated Property |
| η | 0.0001203 | Pa×s | 666.88 | Joback Calculated Property |
| η | 0.0000857 | Pa×s | 721.93 | Joback Calculated Property |
| η | 0.0000641 | Pa×s | 776.97 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 832.01 | Joback Calculated Property |
Similar Compounds
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Sources
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