- InChI
- InChI=1S/C16H26/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3,5,7H,1,4,6,8,10,12-16H2,2H3/b7-5+
- InChI Key
- FWRSRLMOSLAFAV-FNORWQNLSA-N
- Formula
- C16H26
- SMILES
- C=C/C=C/C#CCCCCCCCCCC
- Molecular Weight1
- 218.38
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ΔfH°gas | 111.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.263 | Crippen Calculated Property | |
| McVol | 219.100 | ml/mol | McGowan Calculated Property |
| Inp | [1626.00; 1626.00] |
|
|
| Inp | 1626.00 | NIST | |
| Inp | 1626.00 | NIST | |
| Tboil | 530.67 | K | Relay (1.0) Calculated Property |
| Tfus | 279.38 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 | [536.65; 633.40] | J/mol×K | [575.32; 759.88] |
|
| Cp,gas | 536.65 | J/mol×K | 575.32 | Joback Calculated Property |
| Cp,gas | 554.80 | J/mol×K | 606.08 | Joback Calculated Property |
| Cp,gas | 572.09 | J/mol×K | 636.84 | Joback Calculated Property |
| Cp,gas | 588.56 | J/mol×K | 667.60 | Joback Calculated Property |
| Cp,gas | 604.24 | J/mol×K | 698.36 | Joback Calculated Property |
| Cp,gas | 619.18 | J/mol×K | 729.12 | Joback Calculated Property |
| Cp,gas | 633.40 | J/mol×K | 759.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexadec-11-yn-13,15-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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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