- 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [578.41; 671.57] | J/mol×K | [650.78; 847.02] |
|
| Cp,gas | 578.41 | J/mol×K | 650.78 | Joback Calculated Property |
| Cp,gas | 596.63 | J/mol×K | 683.49 | Joback Calculated Property |
| Cp,gas | 613.79 | J/mol×K | 716.19 | Joback Calculated Property |
| Cp,gas | 629.88 | J/mol×K | 748.90 | Joback Calculated Property |
| Cp,gas | 644.87 | J/mol×K | 781.61 | Joback Calculated Property |
| Cp,gas | 658.77 | J/mol×K | 814.31 | Joback Calculated Property |
| Cp,gas | 671.57 | J/mol×K | 847.02 | Joback Calculated Property |
| η | [0.0001076; 0.0024474] | Pa×s | [346.30; 650.78] |
|
| η | 0.0024474 | Pa×s | 346.30 | Joback Calculated Property |
| η | 0.0010424 | Pa×s | 397.05 | Joback Calculated Property |
| η | 0.0005387 | Pa×s | 447.79 | Joback Calculated Property |
| η | 0.0003185 | Pa×s | 498.54 | Joback Calculated Property |
| η | 0.0002075 | Pa×s | 549.29 | Joback Calculated Property |
| η | 0.0001453 | Pa×s | 600.03 | Joback Calculated Property |
| η | 0.0001076 | Pa×s | 650.78 | Joback 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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