- InChI
- InChI=1S/C21H32/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20H,3-4,9-10,15-16,21H2,1-2H3/b7-5+,8-6+,13-11+,14-12+,19-17+,20-18+
- InChI Key
- AMGFAFLDDFGVIQ-NWUVBWGCSA-N
- Formula
- C21H32
- SMILES
- CCC=CCC=CCC=CCC=CCC=CCC=CCC
- Molecular Weight1
- 284.48
- 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).
- 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 | 0.3788 | Relay (1.0) Calculated Property | |
| ΔfG° | 607.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -98.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 7.094 | Crippen Calculated Property | |
| McVol | 280.950 | ml/mol | McGowan Calculated Property |
| Pc | 1171.22 | kPa | Joback Calculated Property |
| Inp | [2025.00; 2025.00] |
|
|
| Inp | 2025.00 | NIST | |
| Inp | 2025.00 | NIST | |
| Tboil | 573.87 | K | Relay (1.0) Calculated Property |
| Tc | 735.61 | K | Relay (1.0) Calculated Property |
| Tfus | 284.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.933 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [769.81; 870.60] | J/mol×K | [704.84; 893.50] |
|
| Cp,gas | 769.81 | J/mol×K | 704.84 | Joback Calculated Property |
| Cp,gas | 788.59 | J/mol×K | 736.28 | Joback Calculated Property |
| Cp,gas | 806.44 | J/mol×K | 767.73 | Joback Calculated Property |
| Cp,gas | 823.47 | J/mol×K | 799.17 | Joback Calculated Property |
| Cp,gas | 839.78 | J/mol×K | 830.62 | Joback Calculated Property |
| Cp,gas | 855.45 | J/mol×K | 862.06 | Joback Calculated Property |
| Cp,gas | 870.60 | J/mol×K | 893.50 | Joback Calculated Property |
| η | [0.0000356; 0.0023871] | Pa×s | [295.95; 704.84] |
|
| η | 0.0023871 | Pa×s | 295.95 | Joback Calculated Property |
| η | 0.0006147 | Pa×s | 364.10 | Joback Calculated Property |
| η | 0.0002428 | Pa×s | 432.25 | Joback Calculated Property |
| η | 0.0001235 | Pa×s | 500.39 | Joback Calculated Property |
| η | 0.0000739 | Pa×s | 568.54 | Joback Calculated Property |
| η | 0.0000493 | Pa×s | 636.69 | Joback Calculated Property |
| η | 0.0000356 | Pa×s | 704.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to n-heneicosa-3,6,9,12,15,18-hexaene.
Sources
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