- InChI
- InChI=1S/C14H24O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h11-12H,3-10H2,1-2H3
- InChI Key
- CGWHCRMJEMRSKU-UHFFFAOYSA-N
- Formula
- C14H24O6
- SMILES
- COCCOC(=O)C1CCCCC1C(=O)OCCOC
- Molecular Weight1
- 288.34
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1109.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.06 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.172 | Crippen Calculated Property | |
| McVol | 223.880 | ml/mol | McGowan Calculated Property |
| Inp | [1976.00; 1976.00] |
|
|
| Inp | 1976.00 | NIST | |
| Inp | 1976.00 | NIST | |
| Tboil | 595.51 | K | Relay (1.0) Calculated Property |
| Tc | 793.40 | K | Relay (1.0) Calculated Property |
| Tfus | 294.41 | 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 | [330.10; 786.55] | 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 | 3.23140e+01 | |||
| Coefficient B | 1.19344e+00 | |||
| Coefficient C | -3.52200e-04 | |||
| Coefficient D | -8.70000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 330.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 406.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 477.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 541.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 600.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 651.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 696.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 734.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 764.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 786.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014923; 0.0001113] | Pa×s | [379.80; 622.48] |
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 | -1.31659e+01 | |||
| Coefficient B | 2.52888e+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. | 379.80 | |||
| Temperature range, max. | 622.48 | |||
| η | 0.0014923 | Pa×s | 379.80 | Calculated Property |
| η | 0.0009598 | Pa×s | 406.76 | Calculated Property |
| η | 0.0006521 | Pa×s | 433.73 | Calculated Property |
| η | 0.0004636 | Pa×s | 460.69 | Calculated Property |
| η | 0.0003422 | Pa×s | 487.66 | Calculated Property |
| η | 0.0002608 | Pa×s | 514.62 | Calculated Property |
| η | 0.0002042 | Pa×s | 541.59 | Calculated Property |
| η | 0.0001636 | Pa×s | 568.55 | Calculated Property |
| η | 0.0001338 | Pa×s | 595.52 | Calculated Property |
| η | 0.0001113 | Pa×s | 622.48 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, di(2-methoxyethyl) 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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