- InChI
- InChI=1S/C18H25ClO5/c1-2-3-4-5-6-11-23-17(20)13-22-14-18(21)24-12-15-7-9-16(19)10-8-15/h7-10H,2-6,11-14H2,1H3
- InChI Key
- QEMHAGHLUIHXER-UHFFFAOYSA-N
- Formula
- C18H25ClO5
- SMILES
-
CCCCCCCOC(=O)COCC(=O)OCc1ccc(C
l)cc1 - Molecular Weight1
- 356.84
- 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° | -381.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -827.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.71 | kJ/mol | Joback Calculated Property |
| log10WS | -4.45 | Crippen Calculated Property | |
| logPoct/wat | 3.913 | Crippen Calculated Property | |
| McVol | 273.710 | ml/mol | McGowan Calculated Property |
| Pc | 1488.44 | kPa | Joback Calculated Property |
| Inp | [3250.00; 3250.00] |
|
|
| Inp | 3250.00 | NIST | |
| Inp | 3250.00 | NIST | |
| Tboil | 855.33 | K | Joback Calculated Property |
| Tc | 1060.14 | K | Joback Calculated Property |
| Tfus | 528.03 | K | Joback Calculated Property |
| Vc | 1.050 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [816.44; 883.79] | J/mol×K | [855.33; 1060.14] |
|
| Cp,gas | 816.44 | J/mol×K | 855.33 | Joback Calculated Property |
| Cp,gas | 830.50 | J/mol×K | 889.47 | Joback Calculated Property |
| Cp,gas | 843.41 | J/mol×K | 923.60 | Joback Calculated Property |
| Cp,gas | 855.18 | J/mol×K | 957.74 | Joback Calculated Property |
| Cp,gas | 865.84 | J/mol×K | 991.87 | Joback Calculated Property |
| Cp,gas | 875.37 | J/mol×K | 1026.01 | Joback Calculated Property |
| Cp,gas | 883.79 | J/mol×K | 1060.14 | Joback Calculated Property |
| η | [0.0000471; 0.0004196] | Pa×s | [528.03; 855.33] |
|
| η | 0.0004196 | Pa×s | 528.03 | Joback Calculated Property |
| η | 0.0002457 | Pa×s | 582.58 | Joback Calculated Property |
| η | 0.0001577 | Pa×s | 637.13 | Joback Calculated Property |
| η | 0.0001086 | Pa×s | 691.68 | Joback Calculated Property |
| η | 0.0000789 | Pa×s | 746.23 | Joback Calculated Property |
| η | 0.0000599 | Pa×s | 800.78 | Joback Calculated Property |
| η | 0.0000471 | Pa×s | 855.33 | Joback Calculated Property |
Similar Compounds
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Sources
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