- InChI
- InChI=1S/C22H31Cl3O4/c1-2-3-10-13-28-21(26)11-8-6-4-5-7-9-12-22(27)29-16-18-19(24)14-17(23)15-20(18)25/h14-15H,2-13,16H2,1H3
- InChI Key
- VXMFSRPGWGRMTG-UHFFFAOYSA-N
- Formula
- C22H31Cl3O4
- SMILES
-
CCCCCOC(=O)CCCCCCCCC(=O)OCc1c(
Cl)cc(Cl)cc1Cl - Molecular Weight1
- 465.84
- 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° | -285.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -832.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.29 | kJ/mol | Joback Calculated Property |
| log10WS | -8.41 | Crippen Calculated Property | |
| logPoct/wat | 7.544 | Crippen Calculated Property | |
| McVol | 348.680 | ml/mol | McGowan Calculated Property |
| Pc | 1065.87 | kPa | Joback Calculated Property |
| Inp | [3120.00; 3120.00] |
|
|
| Inp | 3120.00 | NIST | |
| Inp | 3120.00 | NIST | |
| Tboil | 1009.25 | K | Joback Calculated Property |
| Tc | 1235.70 | K | Joback Calculated Property |
| Tfus | 635.76 | K | Joback Calculated Property |
| Vc | 1.355 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1069.88; 1126.38] | J/mol×K | [1009.25; 1235.70] |
|
| Cp,gas | 1069.88 | J/mol×K | 1009.25 | Joback Calculated Property |
| Cp,gas | 1082.67 | J/mol×K | 1046.99 | Joback Calculated Property |
| Cp,gas | 1094.07 | J/mol×K | 1084.73 | Joback Calculated Property |
| Cp,gas | 1104.10 | J/mol×K | 1122.48 | Joback Calculated Property |
| Cp,gas | 1112.81 | J/mol×K | 1160.22 | Joback Calculated Property |
| Cp,gas | 1120.23 | J/mol×K | 1197.96 | Joback Calculated Property |
| Cp,gas | 1126.38 | J/mol×K | 1235.70 | Joback Calculated Property |
| η | [0.0000261; 0.0002015] | Pa×s | [635.76; 1009.25] |
|
| η | 0.0002015 | Pa×s | 635.76 | Joback Calculated Property |
| η | 0.0001231 | Pa×s | 698.01 | Joback Calculated Property |
| η | 0.0000815 | Pa×s | 760.26 | Joback Calculated Property |
| η | 0.0000575 | Pa×s | 822.50 | Joback Calculated Property |
| η | 0.0000426 | Pa×s | 884.75 | Joback Calculated Property |
| η | 0.0000328 | Pa×s | 947.00 | Joback Calculated Property |
| η | 0.0000261 | Pa×s | 1009.25 | Joback Calculated Property |
Similar Compounds
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Sources
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