- InChI
- InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-24-26(27)28-25/h25H,2-24H2,1H3
- InChI Key
- KWOWNYUWWHKUCK-UHFFFAOYSA-N
- Formula
- C26H50O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCC1CCC(=O
)O1 - Molecular Weight1
- 394.68
- 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 | -835.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 141.78 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 8.904 | Crippen Calculated Property | |
| McVol | 373.780 | ml/mol | McGowan Calculated Property |
| Inp | [3157.70; 3157.70] |
|
|
| Inp | 3157.70 | NIST | |
| Inp | 3157.70 | NIST | |
| Tboil | 684.51 | K | Relay (1.0) Calculated Property |
| Tfus | 322.95 | 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 | [549.93; 1348.54] | 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 | -4.55790e+01 | |||
| Coefficient B | 2.56992e+00 | |||
| Coefficient C | -1.51620e-03 | |||
| Coefficient D | 3.40400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 549.93 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 688.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 812.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 922.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1019.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1104.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1179.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1243.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1300.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1348.54 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015167; 0.0001421] | Pa×s | [443.05; 736.61] |
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 | -1.24329e+01 | |||
| Coefficient B | 2.63248e+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. | 443.05 | |||
| Temperature range, max. | 736.61 | |||
| η | 0.0015167 | Pa×s | 443.05 | Calculated Property |
| η | 0.0010092 | Pa×s | 475.67 | Calculated Property |
| η | 0.0007075 | Pa×s | 508.28 | Calculated Property |
| η | 0.0005177 | Pa×s | 540.90 | Calculated Property |
| η | 0.0003925 | Pa×s | 573.52 | Calculated Property |
| η | 0.0003066 | Pa×s | 606.14 | Calculated Property |
| η | 0.0002456 | Pa×s | 638.75 | Calculated Property |
| η | 0.0002011 | Pa×s | 671.37 | Calculated Property |
| η | 0.0001677 | Pa×s | 703.99 | Calculated Property |
| η | 0.0001421 | Pa×s | 736.61 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Docosyldihydrofuran-2(3H)-one.
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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