- InChI
- InChI=1S/C15H26Cl2O3/c1-3-15(4-2,13(17)18)14(19)20-12-10-8-6-5-7-9-11-16/h3-12H2,1-2H3
- InChI Key
- CNVCGVRDINAEJD-UHFFFAOYSA-N
- Formula
- C15H26Cl2O3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)OCCCCCCCC
Cl - Molecular Weight1
- 325.27
- 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 | -810.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.66 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.681 | Crippen Calculated Property | |
| McVol | 255.700 | ml/mol | McGowan Calculated Property |
| Inp | [2071.00; 2071.00] |
|
|
| Inp | 2071.00 | NIST | |
| Inp | 2071.00 | NIST | |
| Tboil | 573.63 | 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 | [366.30; 808.33] | 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 | 2.33300e+01 | |||
| Coefficient B | 1.48544e+00 | |||
| Coefficient C | -8.91500e-04 | |||
| Coefficient D | 1.91060e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 366.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 445.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 516.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 578.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 632.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 679.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 720.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 754.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 783.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 808.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017213; 0.0001378] | Pa×s | [413.33; 640.63] |
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 | -1.34823e+01 | |||
| Coefficient B | 2.94193e+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. | 413.33 | |||
| Temperature range, max. | 640.63 | |||
| η | 0.0017213 | Pa×s | 413.33 | Calculated Property |
| η | 0.0011425 | Pa×s | 438.59 | Calculated Property |
| η | 0.0007929 | Pa×s | 463.84 | Calculated Property |
| η | 0.0005715 | Pa×s | 489.10 | Calculated Property |
| η | 0.0004253 | Pa×s | 514.35 | Calculated Property |
| η | 0.0003254 | Pa×s | 539.61 | Calculated Property |
| η | 0.0002550 | Pa×s | 564.86 | Calculated Property |
| η | 0.0002041 | Pa×s | 590.12 | Calculated Property |
| η | 0.0001663 | Pa×s | 615.37 | Calculated Property |
| η | 0.0001378 | Pa×s | 640.63 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 8-chlorooctyl 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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