- InChI
- InChI=1S/C16H21ClO4/c1-3-4-5-10-20-15(18)8-9-16(19)21-14-11-12(2)6-7-13(14)17/h6-7,11H,3-5,8-10H2,1-2H3
- InChI Key
- IUWYPTXLJXGPRL-UHFFFAOYSA-N
- Formula
- C16H21ClO4
- SMILES
-
CCCCCOC(=O)CCC(=O)Oc1cc(C)ccc1
Cl - Molecular Weight1
- 312.79
- 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° | -302.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -665.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.51 | kJ/mol | Joback Calculated Property |
| log10WS | -4.74 | Crippen Calculated Property | |
| logPoct/wat | 4.067 | Crippen Calculated Property | |
| McVol | 239.660 | ml/mol | McGowan Calculated Property |
| Pc | 1739.01 | kPa | Joback Calculated Property |
| Inp | 2200.00 | NIST | |
| Tboil | 792.13 | K | Joback Calculated Property |
| Tc | 998.52 | K | Joback Calculated Property |
| Tfus | 495.78 | K | Joback Calculated Property |
| Vc | 0.920 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [674.17; 743.12] | J/mol×K | [792.13; 998.52] | 
|
| Cp,gas | 674.17 | J/mol×K | 792.13 | Joback Calculated Property |
| Cp,gas | 688.09 | J/mol×K | 826.53 | Joback Calculated Property |
| Cp,gas | 701.02 | J/mol×K | 860.93 | Joback Calculated Property |
| Cp,gas | 712.98 | J/mol×K | 895.32 | Joback Calculated Property |
| Cp,gas | 723.98 | J/mol×K | 929.72 | Joback Calculated Property |
| Cp,gas | 734.02 | J/mol×K | 964.12 | Joback Calculated Property |
| Cp,gas | 743.12 | J/mol×K | 998.52 | Joback Calculated Property |
| η | [0.0000834; 0.0006188] | Pa×s | [495.78; 792.13] |
|
| η | 0.0006188 | Pa×s | 495.78 | Joback Calculated Property |
| η | 0.0003809 | Pa×s | 545.17 | Joback Calculated Property |
| η | 0.0002541 | Pa×s | 594.56 | Joback Calculated Property |
| η | 0.0001804 | Pa×s | 643.96 | Joback Calculated Property |
| η | 0.0001345 | Pa×s | 693.35 | Joback Calculated Property |
| η | 0.0001042 | Pa×s | 742.74 | Joback Calculated Property |
| η | 0.0000834 | Pa×s | 792.13 | Joback Calculated Property |
Similar Compounds
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Sources
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