- InChI
- InChI=1S/C11H16Cl2O4/c1-3-8(2)17-11(15)6-4-5-10(14)16-7-9(12)13/h3,8-9H,1,4-7H2,2H3
- InChI Key
- GLETVGMXLXJBAE-UHFFFAOYSA-N
- Formula
- C11H16Cl2O4
- SMILES
- C=CC(C)OC(=O)CCCC(=O)OCC(Cl)Cl
- Molecular Weight1
- 283.15
- 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).
- 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 | -848.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.89 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.621 | Crippen Calculated Property | |
| McVol | 200.910 | ml/mol | McGowan Calculated Property |
| Inp | [1698.00; 1698.00] |
|
|
| Inp | 1698.00 | NIST | |
| Inp | 1698.00 | NIST | |
| Tboil | 557.40 | K | Relay (1.0) Calculated Property |
| Tc | 733.36 | K | Relay (1.0) Calculated Property |
| Tfus | 280.56 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [287.88; 592.15] | 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 | 6.31340e+01 | |||
| Coefficient B | 9.44620e-01 | |||
| Coefficient C | -4.55500e-04 | |||
| Coefficient D | 3.99000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 287.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 342.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 390.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 434.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 472.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 506.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 534.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 558.45 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 577.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 592.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043161; 0.0001550] | Pa×s | [326.47; 581.08] |
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 | -1.30380e+01 | |||
| Coefficient B | 2.47876e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 326.47 | |||
| Temperature range, max. | 581.08 | |||
| η | 0.0043161 | Pa×s | 326.47 | Calculated Property |
| η | 0.0023558 | Pa×s | 354.76 | Calculated Property |
| η | 0.0014061 | Pa×s | 383.05 | Calculated Property |
| η | 0.0009010 | Pa×s | 411.34 | Calculated Property |
| η | 0.0006114 | Pa×s | 439.63 | Calculated Property |
| η | 0.0004348 | Pa×s | 467.92 | Calculated Property |
| η | 0.0003215 | Pa×s | 496.21 | Calculated Property |
| η | 0.0002455 | Pa×s | 524.50 | Calculated Property |
| η | 0.0001928 | Pa×s | 552.79 | Calculated Property |
| η | 0.0001550 | Pa×s | 581.08 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-en-2-yl 2,2-dichloroethyl 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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