- InChI
- InChI=1S/C20H38O/c1-3-5-7-9-11-13-15-17-19-20(21)18-16-14-12-10-8-6-4-2/h11,13,17,19-21H,3-10,12,14-16,18H2,1-2H3/b13-11-,19-17-
- InChI Key
- HLRILOHBDLRFQX-OHNCOSGTSA-N
- Formula
- C20H38O
- SMILES
- CCCCCC=CCC=CC(O)CCCCCCCCC
- Molecular Weight1
- 294.52
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8902 | Relay (1.0) Calculated Property | |
| ΔfG° | 138.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -501.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.571 | Crippen Calculated Property | |
| McVol | 289.930 | ml/mol | McGowan Calculated Property |
| Pc | 1161.66 | kPa | Joback Calculated Property |
| Inp | [2240.00; 2240.00] |
|
|
| Inp | 2240.00 | NIST | |
| Inp | 2240.00 | NIST | |
| Tboil | 603.12 | K | Relay (1.0) Calculated Property |
| Tc | 784.17 | K | Relay (1.0) Calculated Property |
| Tfus | 313.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.070 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [413.94; 1009.19] | 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 | -4.00470e+01 | |||
| Coefficient B | 1.98374e+00 | |||
| Coefficient C | -1.26540e-03 | |||
| Coefficient D | 3.30900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 413.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 518.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 610.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 691.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 762.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 825.57 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 880.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 928.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 971.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1009.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0052330; 0.0000305] | Pa×s | [350.82; 652.50] |
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 | -1.63796e+01 | |||
| Coefficient B | 3.90353e+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. | 350.82 | |||
| Temperature range, max. | 652.50 | |||
| η | 0.0052330 | Pa×s | 350.82 | Calculated Property |
| η | 0.0019829 | Pa×s | 384.34 | Calculated Property |
| η | 0.0008779 | Pa×s | 417.86 | Calculated Property |
| η | 0.0004387 | Pa×s | 451.38 | Calculated Property |
| η | 0.0002413 | Pa×s | 484.90 | Calculated Property |
| η | 0.0001434 | Pa×s | 518.42 | Calculated Property |
| η | 0.0000908 | Pa×s | 551.94 | Calculated Property |
| η | 0.0000605 | Pa×s | 585.46 | Calculated Property |
| η | 0.0000422 | Pa×s | 618.98 | Calculated Property |
| η | 0.0000305 | Pa×s | 652.50 | Calculated Property |
Similar Compounds
Find more compounds similar to (Z,Z)-6,9-eicosadien-11-ol.
Sources
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