- InChI
- InChI=1S/C17H28O6/c1-3-17(4-2,15(18)22-11-13-7-5-9-20-13)16(19)23-12-14-8-6-10-21-14/h13-14H,3-12H2,1-2H3
- InChI Key
- OCPSTBMCYRAGTA-UHFFFAOYSA-N
- Formula
- C17H28O6
- SMILES
-
CCC(CC)(C(=O)OCC1CCCO1)C(=O)OC
C1CCCO1 - Molecular Weight1
- 328.40
- 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 | -1162.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.58 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.237 | Crippen Calculated Property | |
| McVol | 255.290 | ml/mol | McGowan Calculated Property |
| Inp | [2167.00; 2167.00] |
|
|
| Inp | 2167.00 | NIST | |
| Inp | 2167.00 | NIST | |
| Tboil | 636.16 | K | Relay (1.0) Calculated Property |
| Tfus | 295.52 | 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 | [831.08; 919.29] | J/mol×K | [786.23; 998.65] |
|
| Cp,gas | 831.08 | J/mol×K | 786.23 | Joback Calculated Property |
| Cp,gas | 849.30 | J/mol×K | 821.63 | Joback Calculated Property |
| Cp,gas | 866.04 | J/mol×K | 857.04 | Joback Calculated Property |
| Cp,gas | 881.36 | J/mol×K | 892.44 | Joback Calculated Property |
| Cp,gas | 895.30 | J/mol×K | 927.84 | Joback Calculated Property |
| Cp,gas | 907.92 | J/mol×K | 963.25 | Joback Calculated Property |
| Cp,gas | 919.29 | J/mol×K | 998.65 | Joback Calculated Property |
| η | [0.0000844; 0.0019769] | Pa×s | [443.37; 786.23] |
|
| η | 0.0019769 | Pa×s | 443.37 | Joback Calculated Property |
| η | 0.0008657 | Pa×s | 500.51 | Joback Calculated Property |
| η | 0.0004490 | Pa×s | 557.66 | Joback Calculated Property |
| η | 0.0002631 | Pa×s | 614.80 | Joback Calculated Property |
| η | 0.0001688 | Pa×s | 671.94 | Joback Calculated Property |
| η | 0.0001162 | Pa×s | 729.09 | Joback Calculated Property |
| η | 0.0000844 | Pa×s | 786.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, di(tetrahydrofurfuryl) 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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