- 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
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 527.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 109.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.13 | kJ/mol | Joback Calculated Property |
| log10WS | -7.88 | Crippen 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 | 700.68 | K | Joback Calculated Property |
| Tc | 883.89 | K | Joback Calculated Property |
| Tfus | 301.03 | K | Joback Calculated Property |
| Vc | 1.111 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [792.26; 895.26] | J/mol×K | [700.68; 883.89] |
|
| Cp,gas | 792.26 | J/mol×K | 700.68 | Joback Calculated Property |
| Cp,gas | 811.46 | J/mol×K | 731.22 | Joback Calculated Property |
| Cp,gas | 829.74 | J/mol×K | 761.75 | Joback Calculated Property |
| Cp,gas | 847.17 | J/mol×K | 792.29 | Joback Calculated Property |
| Cp,gas | 863.85 | J/mol×K | 822.82 | Joback Calculated Property |
| Cp,gas | 879.86 | J/mol×K | 853.36 | Joback Calculated Property |
| Cp,gas | 895.26 | J/mol×K | 883.89 | Joback Calculated Property |
| η | [0.0000412; 0.0025087] | Pa×s | [301.03; 700.68] |
|
| η | 0.0025087 | Pa×s | 301.03 | Joback Calculated Property |
| η | 0.0006800 | Pa×s | 367.64 | Joback Calculated Property |
| η | 0.0002751 | Pa×s | 434.25 | Joback Calculated Property |
| η | 0.0001416 | Pa×s | 500.86 | Joback Calculated Property |
| η | 0.0000852 | Pa×s | 567.46 | Joback Calculated Property |
| η | 0.0000570 | Pa×s | 634.07 | Joback Calculated Property |
| η | 0.0000412 | Pa×s | 700.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-3,6,9,12,15-heneicosapentaene.
Sources
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