- InChI
- InChI=1S/C21H38O/c1-3-5-7-9-11-13-15-17-19-21-20(22-21)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
- AZNAATMZDDJQSS-OHNCOSGTSA-N
- Formula
- C21H38O
- SMILES
- CCCCCC=CCC=CC1OC1CCCCCCCCC
- Molecular Weight1
- 306.53
- Other Names
-
- (6Z,9Z,11S,12S)-trans-11,12-epoxyhenicosa-6,9-diene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 57.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.977 | Crippen Calculated Property | |
| McVol | 293.160 | ml/mol | McGowan Calculated Property |
| Inp | 2200.00 | NIST | |
| I | 2548.00 | NIST | |
| Tboil | 596.01 | K | Relay (1.0) Calculated Property |
| Tfus | 294.77 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [884.78; 994.46] | J/mol×K | [717.42; 894.84] | 
|
| Cp,gas | 884.78 | J/mol×K | 717.42 | Joback Calculated Property |
| Cp,gas | 905.26 | J/mol×K | 746.99 | Joback Calculated Property |
| Cp,gas | 924.77 | J/mol×K | 776.56 | Joback Calculated Property |
| Cp,gas | 943.39 | J/mol×K | 806.13 | Joback Calculated Property |
| Cp,gas | 961.17 | J/mol×K | 835.70 | Joback Calculated Property |
| Cp,gas | 978.17 | J/mol×K | 865.27 | Joback Calculated Property |
| Cp,gas | 994.46 | J/mol×K | 894.84 | Joback Calculated Property |
| η | [0.0001943; 0.0021496] | Pa×s | [356.54; 717.42] |
|
| η | 0.0021496 | Pa×s | 356.54 | Joback Calculated Property |
| η | 0.0010785 | Pa×s | 416.69 | Joback Calculated Property |
| η | 0.0006439 | Pa×s | 476.83 | Joback Calculated Property |
| η | 0.0004316 | Pa×s | 536.98 | Joback Calculated Property |
| η | 0.0003135 | Pa×s | 597.13 | Joback Calculated Property |
| η | 0.0002415 | Pa×s | 657.27 | Joback Calculated Property |
| η | 0.0001943 | Pa×s | 717.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (6Z,9Z)-Trans-11,12-Epoxyhenicosa-6,9-diene.
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
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