- InChI
- InChI=1S/C15H24Cl2O4/c1-3-4-5-6-8-12(2)21-15(19)10-7-9-14(18)20-11-13(16)17/h6,8,12-13H,3-5,7,9-11H2,1-2H3/b8-6+
- InChI Key
- DYGQCBVSVRLNLJ-SOFGYWHQSA-N
- Formula
- C15H24Cl2O4
- SMILES
-
CCCCC=CC(C)OC(=O)CCCC(=O)OCC(C
l)Cl - Molecular Weight1
- 339.25
- 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).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -957.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.14 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.182 | Crippen Calculated Property | |
| McVol | 257.270 | ml/mol | McGowan Calculated Property |
| Pc | 1419.71 | kPa | Joback Calculated Property |
| Inp | [2080.00; 2080.00] |
|
|
| Inp | 2080.00 | NIST | |
| Inp | 2080.00 | NIST | |
| Tboil | 584.09 | K | Relay (1.0) Calculated Property |
| Tc | 769.85 | K | Relay (1.0) Calculated Property |
| Tfus | 271.14 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [368.54; 796.45] | 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 | 4.83070e+01 | |||
| Coefficient B | 1.36464e+00 | |||
| Coefficient C | -7.34000e-04 | |||
| Coefficient D | 1.17500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 368.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 444.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 512.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 572.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 625.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 672.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 712.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 745.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 773.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 796.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024555; 0.0000817] | Pa×s | [368.23; 648.91] |
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 | -1.38762e+01 | |||
| Coefficient B | 2.89680e+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. | 368.23 | |||
| Temperature range, max. | 648.91 | |||
| η | 0.0024555 | Pa×s | 368.23 | Calculated Property |
| η | 0.0013286 | Pa×s | 399.42 | Calculated Property |
| η | 0.0007857 | Pa×s | 430.60 | Calculated Property |
| η | 0.0004988 | Pa×s | 461.79 | Calculated Property |
| η | 0.0003354 | Pa×s | 492.98 | Calculated Property |
| η | 0.0002365 | Pa×s | 524.16 | Calculated Property |
| η | 0.0001734 | Pa×s | 555.35 | Calculated Property |
| η | 0.0001314 | Pa×s | 586.54 | Calculated Property |
| η | 0.0001024 | Pa×s | 617.73 | Calculated Property |
| η | 0.0000817 | Pa×s | 648.91 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,2-dichloroethyl oct-3-en-2-yl ester.
Sources
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