- InChI
- InChI=1S/C22H33ClO4/c1-17(2)15-26-21(24)10-8-6-4-5-7-9-11-22(25)27-16-19-12-13-20(23)14-18(19)3/h12-14,17H,4-11,15-16H2,1-3H3
- InChI Key
- TYMWATLVZORJBM-UHFFFAOYSA-N
- Formula
- C22H33ClO4
- SMILES
-
Cc1cc(Cl)ccc1COC(=O)CCCCCCCCC(
=O)OCC(C)C - 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° | -254.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -794.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.48 | kJ/mol | Joback Calculated Property |
| log10WS | -6.86 | Crippen Calculated Property | |
| logPoct/wat | 6.012 | Crippen Calculated Property | |
| McVol | 324.200 | ml/mol | McGowan Calculated Property |
| Pc | 1136.73 | kPa | Joback Calculated Property |
| Inp | [2827.00; 2827.00] |
|
|
| Inp | 2827.00 | NIST | |
| Inp | 2827.00 | NIST | |
| Tboil | 928.97 | K | Joback Calculated Property |
| Tc | 1140.43 | K | Joback Calculated Property |
| Tfus | 548.40 | K | Joback Calculated Property |
| Vc | 1.250 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1024.02; 1096.97] | J/mol×K | [928.97; 1140.43] |
|
| Cp,gas | 1024.02 | J/mol×K | 928.97 | Joback Calculated Property |
| Cp,gas | 1039.35 | J/mol×K | 964.21 | Joback Calculated Property |
| Cp,gas | 1053.36 | J/mol×K | 999.46 | Joback Calculated Property |
| Cp,gas | 1066.11 | J/mol×K | 1034.70 | Joback Calculated Property |
| Cp,gas | 1077.60 | J/mol×K | 1069.94 | Joback Calculated Property |
| Cp,gas | 1087.88 | J/mol×K | 1105.19 | Joback Calculated Property |
| Cp,gas | 1096.97 | J/mol×K | 1140.43 | Joback Calculated Property |
| η | [0.0000328; 0.0003736] | Pa×s | [548.40; 928.97] |
|
| η | 0.0003736 | Pa×s | 548.40 | Joback Calculated Property |
| η | 0.0002018 | Pa×s | 611.83 | Joback Calculated Property |
| η | 0.0001224 | Pa×s | 675.26 | Joback Calculated Property |
| η | 0.0000809 | Pa×s | 738.68 | Joback Calculated Property |
| η | 0.0000570 | Pa×s | 802.11 | Joback Calculated Property |
| η | 0.0000424 | Pa×s | 865.54 | Joback Calculated Property |
| η | 0.0000328 | Pa×s | 928.97 | Joback Calculated Property |
Similar Compounds
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Sources
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