- InChI
- InChI=1S/C22H33ClO4/c1-3-4-11-16-26-21(24)12-9-7-5-6-8-10-13-22(25)27-20-15-14-19(23)17-18(20)2/h14-15,17H,3-13,16H2,1-2H3
- InChI Key
- OWCVSZNFRVCLIL-UHFFFAOYSA-N
- Formula
- C22H33ClO4
- SMILES
-
CCCCCOC(=O)CCCCCCCCC(=O)Oc1ccc
(Cl)cc1C - Molecular Weight1
- 396.95
- 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° | -252.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -789.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.86 | kJ/mol | Joback Calculated Property |
| log10WS | -7.25 | Crippen Calculated Property | |
| logPoct/wat | 6.408 | Crippen Calculated Property | |
| McVol | 324.200 | ml/mol | McGowan Calculated Property |
| Pc | 1130.62 | kPa | Joback Calculated Property |
| Inp | 2899.00 | NIST | |
| Tboil | 929.41 | K | Joback Calculated Property |
| Tc | 1140.08 | K | Joback Calculated Property |
| Tfus | 563.40 | K | Joback Calculated Property |
| Vc | 1.256 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1023.57; 1096.72] | J/mol×K | [929.41; 1140.08] | 
|
| Cp,gas | 1023.57 | J/mol×K | 929.41 | Joback Calculated Property |
| Cp,gas | 1038.87 | J/mol×K | 964.52 | Joback Calculated Property |
| Cp,gas | 1052.89 | J/mol×K | 999.63 | Joback Calculated Property |
| Cp,gas | 1065.66 | J/mol×K | 1034.75 | Joback Calculated Property |
| Cp,gas | 1077.20 | J/mol×K | 1069.86 | Joback Calculated Property |
| Cp,gas | 1087.55 | J/mol×K | 1104.97 | Joback Calculated Property |
| Cp,gas | 1096.72 | J/mol×K | 1140.08 | Joback Calculated Property |
| η | [0.0000359; 0.0003410] | Pa×s | [563.40; 929.41] |
|
| η | 0.0003410 | Pa×s | 563.40 | Joback Calculated Property |
| η | 0.0001951 | Pa×s | 624.40 | Joback Calculated Property |
| η | 0.0001233 | Pa×s | 685.40 | Joback Calculated Property |
| η | 0.0000840 | Pa×s | 746.41 | Joback Calculated Property |
| η | 0.0000606 | Pa×s | 807.41 | Joback Calculated Property |
| η | 0.0000458 | Pa×s | 868.41 | Joback Calculated Property |
| η | 0.0000359 | Pa×s | 929.41 | Joback Calculated Property |
Similar Compounds
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Sources
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