- InChI
- InChI=1S/C25H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-23-25(26)27-24/h24H,2-23H2,1H3
- InChI Key
- FLVQHDPEFVLJND-UHFFFAOYSA-N
- Formula
- C25H48O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCC1CCC(=O)
O1 - Molecular Weight1
- 380.65
- CAS
- 625835-46-3
- 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 | -814.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.24 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 8.514 | Crippen Calculated Property | |
| McVol | 359.690 | ml/mol | McGowan Calculated Property |
| Inp | [3060.20; 3060.20] |
|
|
| Inp | 3060.20 | NIST | |
| Inp | 3060.20 | NIST | |
| Tboil | 678.32 | K | Relay (1.0) Calculated Property |
| Tfus | 320.71 | 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 | [528.72; 1296.95] | 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 | -4.46700e+01 | |||
| Coefficient B | 2.47492e+00 | |||
| Coefficient C | -1.46180e-03 | |||
| Coefficient D | 3.28500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 528.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 662.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 781.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 887.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 980.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1062.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1134.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1196.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1250.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1296.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016760; 0.0001617] | Pa×s | [431.78; 717.02] |
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 | -1.22701e+01 | |||
| Coefficient B | 2.53832e+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. | 431.78 | |||
| Temperature range, max. | 717.02 | |||
| η | 0.0016760 | Pa×s | 431.78 | Calculated Property |
| η | 0.0011212 | Pa×s | 463.47 | Calculated Property |
| η | 0.0007897 | Pa×s | 495.17 | Calculated Property |
| η | 0.0005801 | Pa×s | 526.86 | Calculated Property |
| η | 0.0004414 | Pa×s | 558.55 | Calculated Property |
| η | 0.0003458 | Pa×s | 590.25 | Calculated Property |
| η | 0.0002777 | Pa×s | 621.94 | Calculated Property |
| η | 0.0002279 | Pa×s | 653.63 | Calculated Property |
| η | 0.0001904 | Pa×s | 685.33 | Calculated Property |
| η | 0.0001617 | Pa×s | 717.02 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Henicosyldihydrofuran-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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