- InChI
- InChI=1S/C17H21Cl3O4/c1-3-11(4-2)10-23-15(21)6-5-7-16(22)24-17-13(19)8-12(18)9-14(17)20/h8-9,11H,3-7,10H2,1-2H3
- InChI Key
- XVPFNOOBKLXIKY-UHFFFAOYSA-N
- Formula
- C17H21Cl3O4
- SMILES
-
CCC(CC)COC(=O)CCCC(=O)Oc1c(Cl)
cc(Cl)cc1Cl - Molecular Weight1
- 395.70
- 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° | -330.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -734.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.78 | kJ/mol | Joback Calculated Property |
| log10WS | -6.23 | Crippen Calculated Property | |
| logPoct/wat | 5.702 | Crippen Calculated Property | |
| McVol | 278.230 | ml/mol | McGowan Calculated Property |
| Pc | 1508.15 | kPa | Joback Calculated Property |
| Inp | [2560.00; 2560.00] |
|
|
| Inp | 2560.00 | NIST | |
| Inp | 2560.00 | NIST | |
| Tboil | 894.41 | K | Joback Calculated Property |
| Tc | 1111.41 | K | Joback Calculated Property |
| Tfus | 564.41 | K | Joback Calculated Property |
| Vc | 1.069 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [777.49; 832.48] | J/mol×K | [894.41; 1111.41] |
|
| Cp,gas | 777.49 | J/mol×K | 894.41 | Joback Calculated Property |
| Cp,gas | 789.38 | J/mol×K | 930.58 | Joback Calculated Property |
| Cp,gas | 800.17 | J/mol×K | 966.74 | Joback Calculated Property |
| Cp,gas | 809.86 | J/mol×K | 1002.91 | Joback Calculated Property |
| Cp,gas | 818.46 | J/mol×K | 1039.08 | Joback Calculated Property |
| Cp,gas | 826.00 | J/mol×K | 1075.25 | Joback Calculated Property |
| Cp,gas | 832.48 | J/mol×K | 1111.41 | Joback Calculated Property |
| η | [0.0000505; 0.0003779] | Pa×s | [564.41; 894.41] |
|
| η | 0.0003779 | Pa×s | 564.41 | Joback Calculated Property |
| η | 0.0002328 | Pa×s | 619.41 | Joback Calculated Property |
| η | 0.0001552 | Pa×s | 674.41 | Joback Calculated Property |
| η | 0.0001100 | Pa×s | 729.41 | Joback Calculated Property |
| η | 0.0000818 | Pa×s | 784.41 | Joback Calculated Property |
| η | 0.0000633 | Pa×s | 839.41 | Joback Calculated Property |
| η | 0.0000505 | Pa×s | 894.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,4,6-trichlorophenyl 2-ethylbutyl ester.
Sources
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