- InChI
- InChI=1S/C11H18O4/c1-3-15-11(13)9-7-5-4-6-8(9)10(12)14-2/h8-9H,3-7H2,1-2H3
- InChI Key
- KTQLZENVPSGMMQ-UHFFFAOYSA-N
- Formula
- C11H18O4
- SMILES
- CCOC(=O)C1CCCCC1C(=O)OC
- Molecular Weight1
- 214.26
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -815.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.17 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.529 | Crippen Calculated Property | |
| McVol | 169.870 | ml/mol | McGowan Calculated Property |
| Inp | [1483.00; 1483.00] |
|
|
| Inp | 1483.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Tboil | 521.75 | K | Relay (1.0) Calculated Property |
| Tfus | 293.79 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [444.85; 537.12] | J/mol×K | [582.60; 785.93] |
|
| Cp,gas | 444.85 | J/mol×K | 582.60 | Joback Calculated Property |
| Cp,gas | 462.73 | J/mol×K | 616.49 | Joback Calculated Property |
| Cp,gas | 479.62 | J/mol×K | 650.38 | Joback Calculated Property |
| Cp,gas | 495.51 | J/mol×K | 684.26 | Joback Calculated Property |
| Cp,gas | 510.39 | J/mol×K | 718.15 | Joback Calculated Property |
| Cp,gas | 524.26 | J/mol×K | 752.04 | Joback Calculated Property |
| Cp,gas | 537.12 | J/mol×K | 785.93 | Joback Calculated Property |
| η | [0.0001739; 0.0042809] | Pa×s | [301.53; 582.60] |
|
| η | 0.0042809 | Pa×s | 301.53 | Joback Calculated Property |
| η | 0.0017529 | Pa×s | 348.37 | Joback Calculated Property |
| η | 0.0008870 | Pa×s | 395.22 | Joback Calculated Property |
| η | 0.0005185 | Pa×s | 442.06 | Joback Calculated Property |
| η | 0.0003360 | Pa×s | 488.91 | Joback Calculated Property |
| η | 0.0002348 | Pa×s | 535.75 | Joback Calculated Property |
| η | 0.0001739 | Pa×s | 582.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, ethyl methyl 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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