- InChI
- InChI=1S/C13H22O5/c1-3-17-12(14)10-6-4-5-7-11(10)13(15)18-9-8-16-2/h10-11H,3-9H2,1-2H3
- InChI Key
- XPMUGQKGWZTHBO-UHFFFAOYSA-N
- Formula
- C13H22O5
- SMILES
- CCOC(=O)C1CCCCC1C(=O)OCCOC
- Molecular Weight1
- 258.31
- 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 | -980.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.88 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.546 | Crippen Calculated Property | |
| McVol | 203.920 | ml/mol | McGowan Calculated Property |
| Inp | [1750.00; 1750.00] |
|
|
| Inp | 1750.00 | NIST | |
| Inp | 1750.00 | NIST | |
| Tboil | 571.43 | K | Relay (1.0) Calculated Property |
| Tc | 774.71 | K | Relay (1.0) Calculated Property |
| Tfus | 283.97 | 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 | [293.49; 716.46] | 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 | 7.72300e+00 | |||
| Coefficient B | 1.16164e+00 | |||
| Coefficient C | -4.08800e-04 | |||
| Coefficient D | -4.41000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 293.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 365.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 431.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 491.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 545.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 593.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 634.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 668.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 695.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 716.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024474; 0.0001522] | Pa×s | [346.30; 592.91] |
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 | -1.26908e+01 | |||
| Coefficient B | 2.31263e+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. | 346.30 | |||
| Temperature range, max. | 592.91 | |||
| η | 0.0024474 | Pa×s | 346.30 | Calculated Property |
| η | 0.0014999 | Pa×s | 373.70 | Calculated Property |
| η | 0.0009828 | Pa×s | 401.10 | Calculated Property |
| η | 0.0006797 | Pa×s | 428.50 | Calculated Property |
| η | 0.0004914 | Pa×s | 455.91 | Calculated Property |
| η | 0.0003686 | Pa×s | 483.31 | Calculated Property |
| η | 0.0002851 | Pa×s | 510.71 | Calculated Property |
| η | 0.0002264 | Pa×s | 538.11 | Calculated Property |
| η | 0.0001839 | Pa×s | 565.51 | Calculated Property |
| η | 0.0001522 | Pa×s | 592.91 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, ethyl 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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