- InChI
- InChI=1S/C21H29Cl3O4/c1-2-3-12-27-20(25)10-8-6-4-5-7-9-11-21(26)28-15-17-18(23)13-16(22)14-19(17)24/h13-14H,2-12,15H2,1H3
- InChI Key
- VUVJWTILQBXFQG-UHFFFAOYSA-N
- Formula
- C21H29Cl3O4
- SMILES
-
CCCCOC(=O)CCCCCCCCC(=O)OCc1c(C
l)cc(Cl)cc1Cl - Molecular Weight1
- 451.81
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0764 | Relay (... Calculated Property | |
| ΔfG° | -294.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -926.95 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 61.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.82 | kJ/mol | Relay (... Calculated Property |
| IE | 8.78 | eV | Relay (... Calculated Property |
| log10WS | -7.17 | Relay (... Calculated Property | |
| logPoct/wat | 7.154 | Crippen Calculated Property | |
| McVol | 334.590 | ml/mol | McGowan Calculated Property |
| Pc | 1135.96 | kPa | Joback Calculated Property |
| Inp | [3020.00; 3020.00] |
|
|
| Inp | 3020.00 | NIST | |
| Inp | 3020.00 | NIST | |
| Tboil | 668.67 | K | Relay (... Calculated Property |
| Tc | 890.29 | K | Relay (... Calculated Property |
| Tfus | 319.02 | K | Relay (... Calculated Property |
| Vc | 1.236 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1010.15; 1066.65] | J/mol×K | [986.37; 1208.66] |
|
| Cp,gas | 1010.15 | J/mol×K | 986.37 | Joback Calculated Property |
| Cp,gas | 1022.76 | J/mol×K | 1023.42 | Joback Calculated Property |
| Cp,gas | 1034.05 | J/mol×K | 1060.47 | Joback Calculated Property |
| Cp,gas | 1044.06 | J/mol×K | 1097.52 | Joback Calculated Property |
| Cp,gas | 1052.81 | J/mol×K | 1134.57 | Joback Calculated Property |
| Cp,gas | 1060.33 | J/mol×K | 1171.62 | Joback Calculated Property |
| Cp,gas | 1066.65 | J/mol×K | 1208.66 | Joback Calculated Property |
| η | [0.0000304; 0.0002266] | Pa×s | [624.49; 986.37] |
|
| η | 0.0002266 | Pa×s | 624.49 | Joback Calculated Property |
| η | 0.0001399 | Pa×s | 684.80 | Joback Calculated Property |
| η | 0.0000934 | Pa×s | 745.12 | Joback Calculated Property |
| η | 0.0000663 | Pa×s | 805.43 | Joback Calculated Property |
| η | 0.0000493 | Pa×s | 865.74 | Joback Calculated Property |
| η | 0.0000381 | Pa×s | 926.06 | Joback Calculated Property |
| η | 0.0000304 | Pa×s | 986.37 | Joback Calculated Property |
Similar Compounds
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Sources
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