- InChI
- InChI=1S/C16H21ClO5/c1-2-3-4-9-21-15(18)11-20-12-16(19)22-10-13-5-7-14(17)8-6-13/h5-8H,2-4,9-12H2,1H3
- InChI Key
- MPBRMDYZINQWGZ-UHFFFAOYSA-N
- Formula
- C16H21ClO5
- SMILES
-
CCCCCOC(=O)COCC(=O)OCc1ccc(Cl)
cc1 - Molecular Weight1
- 328.79
- 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° | -398.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -786.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.26 | kJ/mol | Joback Calculated Property |
| log10WS | -3.62 | Crippen Calculated Property | |
| logPoct/wat | 3.133 | Crippen Calculated Property | |
| McVol | 245.530 | ml/mol | McGowan Calculated Property |
| Pc | 1736.11 | kPa | Joback Calculated Property |
| Inp | [2987.00; 2987.00] |
|
|
| Inp | 2987.00 | NIST | |
| Inp | 2987.00 | NIST | |
| Tboil | 809.57 | K | Joback Calculated Property |
| Tc | 1014.73 | K | Joback Calculated Property |
| Tfus | 505.49 | K | Joback Calculated Property |
| Vc | 0.939 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [702.49; 768.53] | J/mol×K | [809.57; 1014.73] |
|
| Cp,gas | 702.49 | J/mol×K | 809.57 | Joback Calculated Property |
| Cp,gas | 716.09 | J/mol×K | 843.76 | Joback Calculated Property |
| Cp,gas | 728.65 | J/mol×K | 877.96 | Joback Calculated Property |
| Cp,gas | 740.17 | J/mol×K | 912.15 | Joback Calculated Property |
| Cp,gas | 750.66 | J/mol×K | 946.34 | Joback Calculated Property |
| Cp,gas | 760.11 | J/mol×K | 980.54 | Joback Calculated Property |
| Cp,gas | 768.53 | J/mol×K | 1014.73 | Joback Calculated Property |
| η | [0.0000625; 0.0005117] | Pa×s | [505.49; 809.57] |
|
| η | 0.0005117 | Pa×s | 505.49 | Joback Calculated Property |
| η | 0.0003073 | Pa×s | 556.17 | Joback Calculated Property |
| η | 0.0002009 | Pa×s | 606.85 | Joback Calculated Property |
| η | 0.0001403 | Pa×s | 657.53 | Joback Calculated Property |
| η | 0.0001031 | Pa×s | 708.21 | Joback Calculated Property |
| η | 0.0000790 | Pa×s | 758.89 | Joback Calculated Property |
| η | 0.0000625 | Pa×s | 809.57 | Joback Calculated Property |
Similar Compounds
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Sources
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