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CAS No.: | 629-74-3 |
---|---|
Name: | 1-Hexadecyne |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C16H30 |
Molecular Weight: | 222.414 |
Synonyms: | 1-Hexadecyne; |
EINECS: | 211-106-3 |
Density: | 0.805 g/cm3 |
Melting Point: | 15 °C |
Boiling Point: | 284.303 °C at 760 mmHg |
Flash Point: | 127.977 °C |
Risk Codes: | 11 |
Safety: | 24/25 |
PSA: | 0.00000 |
LogP: | 5.71080 |
The 1-Hexadecyne, also known as Tetradecylacetylene, is an organic compound with the formula C16H30. It belongs to the product categories of Acetylenes; Acetylenic Hydrocarbons. Its EINECS registry number is 211-106-3. With the CAS registry number 629-74-3, its IUPAC name is hexadec-1-yne. When you are using this chemical, please be cautious about it. It is highly flammable. You must avoid contact with skin and eyes. The product should be sealed and stored in cool and dry place. What's more, it should be protected from oxides
Physical properties of 1-Hexadecyne: (1)ACD/LogP: 7.79; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.793; (4)ACD/LogD (pH 7.4): 7.793; (5)ACD/BCF (pH 5.5): 492934.875; (6)ACD/BCF (pH 7.4): 492934.875; (7)ACD/KOC (pH 5.5): 413495.063; (8)ACD/KOC (pH 7.4): 413495.063; (9)#Freely Rotating Bonds: 12; (10)Index of Refraction: 1.448; (11)Molar Refractivity: 74.003 cm3; (12)Molar Volume: 276.408 cm3; (13)Surface Tension: 30.151 dyne/cm; (14)Density: 0.805 g/cm3; (15)Flash Point: 127.977 °C; (16)Enthalpy of Vaporization: 50.227 kJ/mol; (17)Boiling Point: 284.303 °C at 760 mmHg; (18)Vapour Pressure: 0.005 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,2-dibromo-hexadecane. This reaction will need reagent NaNH2.
Uses of 1-Hexadecyne: it can be used to produce heptadec-2-yn-1-ol. This reaction will need reagent n-BuLi and solvent hexamethylphosphoric acid triamide. The yield is about 78%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCC#C
(2)InChI: InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1H,4-16H2,2H3
(3)InChIKey: UCIDYSLOTJMRAM-UHFFFAOYSA-N