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4-Hexylphenylacetylene

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Name

4-Hexylphenylacetylene

EINECS N/A
CAS No. 79887-11-9 Density 0.9 g/cm3
PSA 0.00000 LogP 3.79070
Solubility N/A Melting Point N/A
Formula C14H18 Boiling Point 263.5 °C at 760 mmHg
Molecular Weight 186.297 Flash Point 105.6 °C
Transport Information N/A Appearance yellow liquid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 79887-11-9 (1-ETH-1-YNYL-4-HEXYLBENZENE) Hazard Symbols IrritantXi
Synonyms

1-Ethynyl-4-hexylbenzene;4-Hexylphenylacetylene;

Article Data 7

4-Hexylphenylacetylene Specification

The 4-Hexylphenylacetylene ,its cas register number is 79887-11-9.It also can be called as 1-Ethynyl-4-hexylbenzene and the Systematic name about this chemicals is 1-Ethynyl-4-hexylbenzene .It belongs to the following product categories, such as Categories: Acetylenes, Acetylenic Hydrocarbons having Benzene Ring, Building Blocks for Liquid Crystals, Chalcones, etc. (Building Blocks for Liquid Crystals) and Functional Materials .

Following are the chemical properties about 4-Hexylphenylacetylene :(1)#H bond acceptors: 0 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 5 ; (4)Polar Surface Area: 0 Å 2; (5)Index of Refraction: 1.509 ; (6)Molar Refractivity: 61.59 cm3 ; (7)Molar Volume: 205.9 cm3 ; (8)Surface Tension: 35.2 dyne/cm ; (9) Enthalpy of Vaporization: 48.11 kJ/mol ; (10)Vapour Pressure: 0.0168 mmHg at 25°C .

This chemicals is dangerous, because it irritating to eyes, respiratory system and skin. So in the using process, you need to wear suitable protective clothing, gloves and eye/face protection and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

This chemicals can be described computed from structure:
(1)SMILES: C#Cc1ccc(cc1)CCCCCC
(2)InChI: InChI=1/C14H18/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14/h2,9-12H,3,5-8H2,1H3
(3)InChIKey: NFPDFDTYANKKIU-UHFFFAOYAP

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