- InChI
- InChI=1S/C16H28/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h7,9H,3-6,8,10,12,14-16H2,1-2H3/b9-7+
- InChI Key
- XZDCEQPWFZIZPQ-VQHVLOKHSA-N
- Formula
- C16H28
- SMILES
- CCC/C=C/C#CCCCCCCCCC
- Molecular Weight1
- 220.40
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 11.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.487 | Crippen Calculated Property | |
| McVol | 223.400 | ml/mol | McGowan Calculated Property |
| Tboil | 525.30 | K | Relay (1.0) Calculated Property |
| Tfus | 251.41 | 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 | [557.53; 657.27] | J/mol×K | [578.64; 760.02] | 
|
| Cp,gas | 557.53 | J/mol×K | 578.64 | Joback Calculated Property |
| Cp,gas | 576.15 | J/mol×K | 608.87 | Joback Calculated Property |
| Cp,gas | 593.93 | J/mol×K | 639.10 | Joback Calculated Property |
| Cp,gas | 610.90 | J/mol×K | 669.33 | Joback Calculated Property |
| Cp,gas | 627.09 | J/mol×K | 699.56 | Joback Calculated Property |
| Cp,gas | 642.53 | J/mol×K | 729.79 | Joback Calculated Property |
| Cp,gas | 657.27 | J/mol×K | 760.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hexadecen-6-yne, (E)-.
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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