- InChI
- InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18-20(21)22-19/h19H,2-18H2,1H3
- InChI Key
- OIAOPTWTWLRDHD-UHFFFAOYSA-N
- Formula
- C20H38O2
- SMILES
- CCCCCCCCCCCCCCCCC1CCC(=O)O1
- Molecular Weight1
- 310.52
- 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 | -709.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.42 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.563 | Crippen Calculated Property | |
| McVol | 289.240 | ml/mol | McGowan Calculated Property |
| Inp | [2389.00; 2389.00] |
|
|
| Inp | 2389.00 | NIST | |
| Inp | 2389.00 | NIST | |
| Tboil | 647.08 | K | Relay (1.0) Calculated Property |
| Tfus | 307.07 | 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 | [422.65; 1038.99] | 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 | -4.01250e+01 | |||
| Coefficient B | 1.99992e+00 | |||
| Coefficient C | -1.18980e-03 | |||
| Coefficient D | 2.69000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 422.65 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 530.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 626.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 711.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 786.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 851.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 909.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 958.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1001.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1038.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025500; 0.0002794] | Pa×s | [375.43; 627.29] |
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 | -1.14787e+01 | |||
| Coefficient B | 2.06752e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 375.43 | |||
| Temperature range, max. | 627.29 | |||
| η | 0.0025500 | Pa×s | 375.43 | Calculated Property |
| η | 0.0017403 | Pa×s | 403.41 | Calculated Property |
| η | 0.0012481 | Pa×s | 431.40 | Calculated Property |
| η | 0.0009321 | Pa×s | 459.38 | Calculated Property |
| η | 0.0007198 | Pa×s | 487.37 | Calculated Property |
| η | 0.0005717 | Pa×s | 515.35 | Calculated Property |
| η | 0.0004650 | Pa×s | 543.34 | Calculated Property |
| η | 0.0003859 | Pa×s | 571.32 | Calculated Property |
| η | 0.0003259 | Pa×s | 599.31 | Calculated Property |
| η | 0.0002794 | Pa×s | 627.29 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxy-arachidic, .gamma.-lactone.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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