- 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
- CCCC=CC#CCCCCCCCCC
- Molecular Weight1
- 220.39
- CAS
- 74744-51-7
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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° | 366.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 15.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.32 | kJ/mol | Joback Calculated Property |
| log10WS | -6.17 | Crippen Calculated Property | |
| logPoct/wat | 5.487 | Crippen Calculated Property | |
| McVol | 223.400 | ml/mol | McGowan Calculated Property |
| Pc | 1547.57 | kPa | Joback Calculated Property |
| Tboil | 578.64 | K | Joback Calculated Property |
| Tc | 760.02 | K | Joback Calculated Property |
| Tfus | 371.10 | K | Joback Calculated Property |
| Vc | 0.874 | m3/kmol | Joback Calculated Property |
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
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