- InChI
- InChI=1S/C14H24Cl2O5/c1-11(6-8-19-2)7-9-20-13(17)4-3-5-14(18)21-10-12(15)16/h11-12H,3-10H2,1-2H3
- InChI Key
- VIJJAZRSZPYWHA-UHFFFAOYSA-N
- Formula
- C14H24Cl2O5
- SMILES
-
COCCC(C)CCOC(=O)CCCC(=O)OCC(Cl
)Cl - Molecular Weight1
- 343.24
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1122.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.30 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.110 | Crippen Calculated Property | |
| McVol | 253.350 | ml/mol | McGowan Calculated Property |
| Inp | [2146.00; 2146.00] |
|
|
| Inp | 2146.00 | NIST | |
| Inp | 2146.00 | NIST | |
| Tboil | 611.62 | K | Relay (1.0) Calculated Property |
| Tc | 789.06 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [376.73; 793.94] | 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 | 8.88980e+01 | |||
| Coefficient B | 1.18644e+00 | |||
| Coefficient C | -4.84800e-04 | |||
| Coefficient D | 3.40000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 376.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 448.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 513.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 572.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 624.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 670.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 711.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 744.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 772.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 793.94 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018500; 0.0000846] | Pa×s | [384.27; 642.59] |
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 | -1.39655e+01 | |||
| Coefficient B | 2.94849e+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. | 384.27 | |||
| Temperature range, max. | 642.59 | |||
| η | 0.0018500 | Pa×s | 384.27 | Calculated Property |
| η | 0.0010853 | Pa×s | 412.97 | Calculated Property |
| η | 0.0006824 | Pa×s | 441.67 | Calculated Property |
| η | 0.0004541 | Pa×s | 470.38 | Calculated Property |
| η | 0.0003167 | Pa×s | 499.08 | Calculated Property |
| η | 0.0002296 | Pa×s | 527.78 | Calculated Property |
| η | 0.0001722 | Pa×s | 556.48 | Calculated Property |
| η | 0.0001328 | Pa×s | 585.18 | Calculated Property |
| η | 0.0001049 | Pa×s | 613.89 | Calculated Property |
| η | 0.0000846 | Pa×s | 642.59 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 3-methyl-5-methoxypentyl 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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