- InChI
- InChI=1S/C21H29Cl3O4/c1-14(2)6-4-7-15(3)10-11-27-19(25)8-5-9-20(26)28-21-17(23)12-16(22)13-18(21)24/h12-15H,4-11H2,1-3H3
- InChI Key
- SVAJLRFUOHVUBF-UHFFFAOYSA-N
- Formula
- C21H29Cl3O4
- SMILES
-
CC(C)CCCC(C)CCOC(=O)CCCC(=O)Oc
1c(Cl)cc(Cl)cc1Cl - Molecular Weight1
- 451.81
- 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° | -299.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -822.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.29 | kJ/mol | Joback Calculated Property |
| log10WS | -7.66 | Crippen Calculated Property | |
| logPoct/wat | 7.118 | Crippen Calculated Property | |
| McVol | 334.590 | ml/mol | McGowan Calculated Property |
| Pc | 1148.32 | kPa | Joback Calculated Property |
| Inp | [2917.00; 2917.00] |
|
|
| Inp | 2917.00 | NIST | |
| Inp | 2917.00 | NIST | |
| Tboil | 985.49 | K | Joback Calculated Property |
| Tc | 1209.07 | K | Joback Calculated Property |
| Tfus | 594.49 | K | Joback Calculated Property |
| Vc | 1.286 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1010.97; 1066.54] | J/mol×K | [985.49; 1209.07] |
|
| Cp,gas | 1010.97 | J/mol×K | 985.49 | Joback Calculated Property |
| Cp,gas | 1023.52 | J/mol×K | 1022.75 | Joback Calculated Property |
| Cp,gas | 1034.72 | J/mol×K | 1060.02 | Joback Calculated Property |
| Cp,gas | 1044.60 | J/mol×K | 1097.28 | Joback Calculated Property |
| Cp,gas | 1053.17 | J/mol×K | 1134.54 | Joback Calculated Property |
| Cp,gas | 1060.48 | J/mol×K | 1171.80 | Joback Calculated Property |
| Cp,gas | 1066.54 | J/mol×K | 1209.07 | Joback Calculated Property |
| η | [0.0000252; 0.0002594] | Pa×s | [594.49; 985.49] |
|
| η | 0.0002594 | Pa×s | 594.49 | Joback Calculated Property |
| η | 0.0001452 | Pa×s | 659.66 | Joback Calculated Property |
| η | 0.0000902 | Pa×s | 724.82 | Joback Calculated Property |
| η | 0.0000606 | Pa×s | 789.99 | Joback Calculated Property |
| η | 0.0000433 | Pa×s | 855.16 | Joback Calculated Property |
| η | 0.0000324 | Pa×s | 920.32 | Joback Calculated Property |
| η | 0.0000252 | Pa×s | 985.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,4,6-trichlorophenyl 3,7-dimethyloctyl ester.
Sources
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