- InChI
- InChI=1S/C21H30Cl2O4/c1-3-4-5-6-7-8-11-16(2)26-19(24)14-10-15-20(25)27-18-13-9-12-17(22)21(18)23/h9,12-13,16H,3-8,10-11,14-15H2,1-2H3
- InChI Key
- XGTDIDNAYVCKGL-UHFFFAOYSA-N
- Formula
- C21H30Cl2O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)Oc1c
ccc(Cl)c1Cl - Molecular Weight1
- 417.37
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -928.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.63 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.751 | Crippen Calculated Property | |
| McVol | 322.350 | ml/mol | McGowan Calculated Property |
| Inp | [2832.00; 2832.00] |
|
|
| Inp | 2832.00 | NIST | |
| Inp | 2832.00 | NIST | |
| Tboil | 653.29 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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 | [457.99; 1011.43] | 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 | 5.34100e+01 | |||
| Coefficient B | 1.71084e+00 | |||
| Coefficient C | -8.70520e-04 | |||
| Coefficient D | 1.17700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 457.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 554.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 642.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 719.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 788.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 849.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 901.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 945.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 981.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1011.43 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004619; 0.0000446] | Pa×s | [507.39; 781.74] |
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 | -1.43390e+01 | |||
| Coefficient B | 3.37860e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 507.39 | |||
| Temperature range, max. | 781.74 | |||
| η | 0.0004619 | Pa×s | 507.39 | Calculated Property |
| η | 0.0003167 | Pa×s | 537.87 | Calculated Property |
| η | 0.0002261 | Pa×s | 568.36 | Calculated Property |
| η | 0.0001671 | Pa×s | 598.84 | Calculated Property |
| η | 0.0001271 | Pa×s | 629.32 | Calculated Property |
| η | 0.0000992 | Pa×s | 659.81 | Calculated Property |
| η | 0.0000791 | Pa×s | 690.29 | Calculated Property |
| η | 0.0000643 | Pa×s | 720.77 | Calculated Property |
| η | 0.0000532 | Pa×s | 751.25 | Calculated Property |
| η | 0.0000446 | Pa×s | 781.74 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dec-2-yl 2,3-dichlorophenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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