- InChI
- InChI=1S/C15H17Cl3O4/c1-9(2)8-21-12(19)4-3-5-13(20)22-15-11(17)7-6-10(16)14(15)18/h6-7,9H,3-5,8H2,1-2H3
- InChI Key
- SSKVUIWWCGPFEK-UHFFFAOYSA-N
- Formula
- C15H17Cl3O4
- SMILES
-
CC(C)COC(=O)CCCC(=O)Oc1c(Cl)cc
c(Cl)c1Cl - Molecular Weight1
- 367.65
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -805.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.93 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.922 | Crippen Calculated Property | |
| McVol | 250.050 | ml/mol | McGowan Calculated Property |
| Pc | 1645.76 | kPa | Joback Calculated Property |
| Inp | [2445.00; 2445.00] |
|
|
| Inp | 2445.00 | NIST | |
| Inp | 2445.00 | NIST | |
| Tboil | 617.84 | K | Relay (1.0) Calculated Property |
| Tc | 862.31 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.66; 707.11] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 8.60540e+01 | |||
| Coefficient B | 1.08814e+00 | |||
| Coefficient C | -4.97480e-04 | |||
| Coefficient D | 3.04000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 346.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 410.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 467.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 518.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 564.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 604.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 638.14 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 666.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 689.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 707.11 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006186; 0.0000833] | Pa×s | [482.21; 719.32] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.34719e+01 | |||
| Coefficient B | 2.93370e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 482.21 | |||
| Temperature range, max. | 719.32 | |||
| η | 0.0006186 | Pa×s | 482.21 | Calculated Property |
| η | 0.0004514 | Pa×s | 508.56 | Calculated Property |
| η | 0.0003398 | Pa×s | 534.90 | Calculated Property |
| η | 0.0002626 | Pa×s | 561.25 | Calculated Property |
| η | 0.0002078 | Pa×s | 587.59 | Calculated Property |
| η | 0.0001677 | Pa×s | 613.94 | Calculated Property |
| η | 0.0001378 | Pa×s | 640.28 | Calculated Property |
| η | 0.0001149 | Pa×s | 666.63 | Calculated Property |
| η | 0.0000972 | Pa×s | 692.97 | Calculated Property |
| η | 0.0000833 | Pa×s | 719.32 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 2,3,6-trichlorophenyl ester.
Sources
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