- InChI
- InChI=1S/C16H22/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1-2H,5-14H2
- InChI Key
- FQMIMRQHPBBFQF-UHFFFAOYSA-N
- Formula
- C16H22
- SMILES
- C#CCCCCCC#CCCCCCC#C
- Molecular Weight1
- 214.35
- CAS
- 4580-43-2
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 732.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 482.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.08 | kJ/mol | Joback Calculated Property |
| log10WS | -5.90 | Crippen Calculated Property | |
| logPoct/wat | 4.157 | Crippen Calculated Property | |
| McVol | 210.500 | ml/mol | McGowan Calculated Property |
| Pc | 1893.65 | kPa | Joback Calculated Property |
| Tboil | 554.72 | K | Joback Calculated Property |
| Tc | 751.30 | K | Joback Calculated Property |
| Tfus | 470.12 | K | Joback Calculated Property |
| Vc | 0.818 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.09; 586.07] | J/mol×K | [554.72; 751.30] | 
|
| Cp,gas | 495.09 | J/mol×K | 554.72 | Joback Calculated Property |
| Cp,gas | 512.28 | J/mol×K | 587.48 | Joback Calculated Property |
| Cp,gas | 528.60 | J/mol×K | 620.25 | Joback Calculated Property |
| Cp,gas | 544.10 | J/mol×K | 653.01 | Joback Calculated Property |
| Cp,gas | 558.82 | J/mol×K | 685.77 | Joback Calculated Property |
| Cp,gas | 572.79 | J/mol×K | 718.53 | Joback Calculated Property |
| Cp,gas | 586.07 | J/mol×K | 751.30 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 386.00 ± 1.00 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to 1,8,15-Hexadecatriyne.
Sources
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