- InChI
- InChI=1S/C14H14Cl4O4/c1-7(2)6-21-10(19)3-4-11(20)22-14-12(17)8(15)5-9(16)13(14)18/h5,7H,3-4,6H2,1-2H3
- InChI Key
- HNSFOJLAXWCAGH-UHFFFAOYSA-N
- Formula
- C14H14Cl4O4
- SMILES
-
CC(C)COC(=O)CCC(=O)Oc1c(Cl)c(C
l)cc(Cl)c1Cl - Molecular Weight1
- 388.07
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -786.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.185 | Crippen Calculated Property | |
| McVol | 248.200 | ml/mol | McGowan Calculated Property |
| Pc | 1706.12 | kPa | Joback Calculated Property |
| Inp | [2422.00; 2422.00] |
|
|
| Inp | 2422.00 | NIST | |
| Inp | 2422.00 | NIST | |
| Tboil | 617.92 | K | Relay (1.0) Calculated Property |
| Tc | 875.67 | K | Relay (1.0) Calculated Property |
| Tfus | 351.15 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [623.74; 667.93] | J/mol×K | [832.24; 1053.28] |
|
| Cp,gas | 623.74 | J/mol×K | 832.24 | Joback Calculated Property |
| Cp,gas | 633.75 | J/mol×K | 869.08 | Joback Calculated Property |
| Cp,gas | 642.69 | J/mol×K | 905.92 | Joback Calculated Property |
| Cp,gas | 650.59 | J/mol×K | 942.76 | Joback Calculated Property |
| Cp,gas | 657.42 | J/mol×K | 979.60 | Joback Calculated Property |
| Cp,gas | 663.20 | J/mol×K | 1016.44 | Joback Calculated Property |
| Cp,gas | 667.93 | J/mol×K | 1053.28 | Joback Calculated Property |
| η | [0.0000521; 0.0004742] | Pa×s | [513.38; 832.24] |
|
| η | 0.0004742 | Pa×s | 513.38 | Joback Calculated Property |
| η | 0.0002761 | Pa×s | 566.52 | Joback Calculated Property |
| η | 0.0001764 | Pa×s | 619.67 | Joback Calculated Property |
| η | 0.0001210 | Pa×s | 672.81 | Joback Calculated Property |
| η | 0.0000877 | Pa×s | 725.95 | Joback Calculated Property |
| η | 0.0000664 | Pa×s | 779.10 | Joback Calculated Property |
| η | 0.0000521 | Pa×s | 832.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, isobutyl 2,3,5,6-tetrachlorophenyl ester.
Sources
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