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1-ethyl-4-[2-(4-hexylphenyl)ethynyl]benzene

Catalog No: FT-0759530

CAS No: 117923-34-9

Chemical Name: 1-ethyl-4-[2-(4-hexylphenyl)ethynyl]benzene
Molecular Formula: C22H26
Molecular Weight: 290.4
InChI Key: ZCEJWGXSGOFJTA-UHFFFAOYSA-N
InChI: InChI=1S/C22H26/c1-3-5-6-7-8-20-13-15-22(16-14-20)18-17-21-11-9-19(4-2)10-12-21/h9-16H,3-8H2,1-2H3

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Bolling_Point:	411.4±34.0 °C at 760 mmHg
CAS:	117923-34-9
MF:	C22H26
Density:	1.0±0.1 g/cm3
Melting_Point:	11ºC
Product_Name:	1-Ethyl-4-[(4-hexylphenyl)ethynyl]benzene
Flash_Point:	200.5±19.8 °C
FW:	290.442

MF:	C22H26
Density:	1.0±0.1 g/cm3
Computational_Chemistry:	['1. XlogP :77 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :22 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :339 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）11 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,007KPa）172-174 ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）172-174 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
Exact_Mass:	290.203461
Vapor_Pressure:	0.0±0.5 mmHg at 25°C
Flash_Point:	200.5±19.8 °C
Molecular_Structure:	['1. Molar refractive index 9576 ', '2. Molar volume 2961 ', '3. Parachor （902K）7518 ', '4. Surface tension 415 ', '5. Dielectric constant 267 ', '6. Polarizability 3796 ', '7. Single isotope mass 290203451 Da ', '8. Nominal mass 290 Da ', '9. Average mass 2904418 Da']
LogP:	8.89
Melting_Point:	11ºC
Bolling_Point:	411.4±34.0 °C at 760 mmHg
FW:	290.442
Refractive_Index:	1.560