- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.57; 717.57] | 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 | 1.40434e+02 | |||
| Coefficient B | 9.82740e-01 | |||
| Coefficient C | -4.04200e-04 | |||
| Coefficient D | -1.40000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 378.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 437.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 491.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 539.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 582.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 620.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 652.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 679.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 701.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 717.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003025; 0.0000640] | Pa×s | [567.09; 784.87] |
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 | -1.37001e+01 | |||
| Coefficient B | 3.17382e+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. | 567.09 | |||
| Temperature range, max. | 784.87 | |||
| η | 0.0003025 | Pa×s | 567.09 | Calculated Property |
| η | 0.0002406 | Pa×s | 591.29 | Calculated Property |
| η | 0.0001948 | Pa×s | 615.49 | Calculated Property |
| η | 0.0001603 | Pa×s | 639.68 | Calculated Property |
| η | 0.0001338 | Pa×s | 663.88 | Calculated Property |
| η | 0.0001131 | Pa×s | 688.08 | Calculated Property |
| η | 0.0000967 | Pa×s | 712.28 | Calculated Property |
| η | 0.0000835 | Pa×s | 736.48 | Calculated Property |
| η | 0.0000728 | Pa×s | 760.68 | Calculated Property |
| η | 0.0000640 | Pa×s | 784.87 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl pentachlorophenyl ester.
Sources
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