- InChI
- InChI=1S/C15H15Cl5O4/c1-7(2)6-23-8(21)4-3-5-9(22)24-15-13(19)11(17)10(16)12(18)14(15)20/h7H,3-6H2,1-2H3
- InChI Key
- RRRKJOCBHJXELM-UHFFFAOYSA-N
- Formula
- C15H15Cl5O4
- SMILES
-
CC(C)COC(=O)CCCC(=O)Oc1c(Cl)c(
Cl)c(Cl)c(Cl)c1Cl - Molecular Weight1
- 436.54
- 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 | -819.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.228 | Crippen Calculated Property | |
| McVol | 274.530 | ml/mol | McGowan Calculated Property |
| Pc | 1515.21 | kPa | Joback Calculated Property |
| Inp | [2745.00; 2745.00] |
|
|
| Inp | 2745.00 | NIST | |
| Inp | 2745.00 | NIST | |
| Tboil | 653.14 | K | Relay (1.0) Calculated Property |
| Tc | 915.75 | K | Relay (1.0) Calculated Property |
| Tfus | 377.62 | 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 | [695.85; 732.20] | J/mol×K | [897.53; 1121.25] |
|
| Cp,gas | 695.85 | J/mol×K | 897.53 | Joback Calculated Property |
| Cp,gas | 704.75 | J/mol×K | 934.82 | Joback Calculated Property |
| Cp,gas | 712.51 | J/mol×K | 972.10 | Joback Calculated Property |
| Cp,gas | 719.14 | J/mol×K | 1009.39 | Joback Calculated Property |
| Cp,gas | 724.63 | J/mol×K | 1046.68 | Joback Calculated Property |
| Cp,gas | 728.98 | J/mol×K | 1083.96 | Joback Calculated Property |
| Cp,gas | 732.20 | J/mol×K | 1121.25 | Joback Calculated Property |
| η | [0.0000385; 0.0003025] | Pa×s | [567.09; 897.53] |
|
| η | 0.0003025 | Pa×s | 567.09 | Joback Calculated Property |
| η | 0.0001843 | Pa×s | 622.16 | Joback Calculated Property |
| η | 0.0001217 | Pa×s | 677.24 | Joback Calculated Property |
| η | 0.0000856 | Pa×s | 732.31 | Joback Calculated Property |
| η | 0.0000632 | Pa×s | 787.38 | Joback Calculated Property |
| η | 0.0000486 | Pa×s | 842.46 | Joback Calculated Property |
| η | 0.0000385 | Pa×s | 897.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl pentachlorophenyl ester.
Sources
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