- InChI
- InChI=1S/C21H34/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20H,3-4,6,8-10,15-16,21H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-
- InChI Key
- WVVMNHZOUMNOLT-LOYOHVQTSA-N
- Formula
- C21H34
- SMILES
- CCC=CCC=CCC=CCC=CCC=CCCCCC
- Molecular Weight1
- 286.49
- 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.
- I : 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 | 0.4709 | Relay (1.0) Calculated Property | |
| ΔfG° | 527.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -160.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.318 | Crippen Calculated Property | |
| McVol | 285.250 | ml/mol | McGowan Calculated Property |
| Pc | 1130.62 | kPa | Joback Calculated Property |
| Inp | [2008.00; 2008.00] |
|
|
| Inp | 2008.00 | NIST | |
| Inp | 2008.00 | NIST | |
| I | [2318.00; 2318.00] |
|
|
| I | 2318.00 | NIST | |
| I | 2318.00 | NIST | |
| Tboil | 577.76 | K | Relay (1.0) Calculated Property |
| Tc | 746.44 | K | Relay (1.0) Calculated Property |
| Tfus | 260.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.974 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.96; 949.83] | 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 | -8.71110e+01 | |||
| Coefficient B | 2.09884e+00 | |||
| Coefficient C | -1.53760e-03 | |||
| Coefficient D | 4.75700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 380.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 484.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 573.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 651.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 718.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 776.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 827.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 872.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 912.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 949.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025087; 0.0000620] | Pa×s | [301.03; 618.90] |
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 | -1.31933e+01 | |||
| Coefficient B | 2.16900e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 301.03 | |||
| Temperature range, max. | 618.90 | |||
| η | 0.0025087 | Pa×s | 301.03 | Calculated Property |
| η | 0.0011772 | Pa×s | 336.35 | Calculated Property |
| η | 0.0006379 | Pa×s | 371.67 | Calculated Property |
| η | 0.0003844 | Pa×s | 406.99 | Calculated Property |
| η | 0.0002512 | Pa×s | 442.31 | Calculated Property |
| η | 0.0001748 | Pa×s | 477.63 | Calculated Property |
| η | 0.0001278 | Pa×s | 512.95 | Calculated Property |
| η | 0.0000974 | Pa×s | 548.26 | Calculated Property |
| η | 0.0000766 | Pa×s | 583.58 | Calculated Property |
| η | 0.0000620 | Pa×s | 618.90 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-3,6,9,12,15-heneicosapentaene.
Sources
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