- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [365.60; 919.69] | 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 | -7.25460e+01 | |||
| Coefficient B | 1.89244e+00 | |||
| Coefficient C | -1.11060e-03 | |||
| Coefficient D | 2.10400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 365.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 467.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 557.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 636.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 705.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 764.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 815.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 857.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 892.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 919.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019769; 0.0001403] | Pa×s | [443.37; 699.06] |
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 | -1.34588e+01 | |||
| Coefficient B | 3.20668e+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. | 443.37 | |||
| Temperature range, max. | 699.06 | |||
| η | 0.0019769 | Pa×s | 443.37 | Calculated Property |
| η | 0.0012789 | Pa×s | 471.78 | Calculated Property |
| η | 0.0008693 | Pa×s | 500.19 | Calculated Property |
| η | 0.0006159 | Pa×s | 528.60 | Calculated Property |
| η | 0.0004520 | Pa×s | 557.01 | Calculated Property |
| η | 0.0003418 | Pa×s | 585.42 | Calculated Property |
| η | 0.0002653 | Pa×s | 613.83 | Calculated Property |
| η | 0.0002106 | Pa×s | 642.24 | Calculated Property |
| η | 0.0001704 | Pa×s | 670.65 | Calculated Property |
| η | 0.0001403 | Pa×s | 699.06 | 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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