- InChI
- InChI=1S/C15H24O6/c16-14(20-10-12-4-2-8-18-12)6-1-7-15(17)21-11-13-5-3-9-19-13/h12-13H,1-11H2
- InChI Key
- VLQQQWCPHFOKKR-UHFFFAOYSA-N
- Formula
- C15H24O6
- SMILES
-
O=C(CCCC(=O)OCC1CCCO1)OCC1CCCO
1 - Molecular Weight1
- 300.35
- 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 | -1128.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.47 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.601 | Crippen Calculated Property | |
| McVol | 227.110 | ml/mol | McGowan Calculated Property |
| Inp | [2369.00; 2369.00] |
|
|
| Inp | 2369.00 | NIST | |
| Inp | 2369.00 | NIST | |
| Tboil | 641.97 | K | Relay (1.0) Calculated Property |
| Tfus | 289.02 | 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 | [324.63; 815.05] | 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 | -4.62550e+01 | |||
| Coefficient B | 1.57660e+00 | |||
| Coefficient C | -8.30000e-04 | |||
| Coefficient D | 1.14700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 324.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 412.71 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 491.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 561.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 622.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 676.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 721.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 759.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 790.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 815.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025363; 0.0002148] | Pa×s | [418.41; 666.11] |
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 | -1.26160e+01 | |||
| Coefficient B | 2.77782e+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. | 418.41 | |||
| Temperature range, max. | 666.11 | |||
| η | 0.0025363 | Pa×s | 418.41 | Calculated Property |
| η | 0.0016836 | Pa×s | 445.93 | Calculated Property |
| η | 0.0011721 | Pa×s | 473.45 | Calculated Property |
| η | 0.0008492 | Pa×s | 500.98 | Calculated Property |
| η | 0.0006362 | Pa×s | 528.50 | Calculated Property |
| η | 0.0004905 | Pa×s | 556.02 | Calculated Property |
| η | 0.0003875 | Pa×s | 583.54 | Calculated Property |
| η | 0.0003127 | Pa×s | 611.07 | Calculated Property |
| η | 0.0002571 | Pa×s | 638.59 | Calculated Property |
| η | 0.0002148 | Pa×s | 666.11 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ditetrahydrofurfuryl 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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