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| CAS No.: | 80563-43-5 |
|---|---|
| Name: | 4-Ethynyl-4'-pentyl-1,1'-biphenyl |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C19H20 |
| Molecular Weight: | 248.368 |
| Synonyms: | 1,1'-biphenyl, 4-ethynyl-4'-pentyl-; |
| Density: | 0.99 g/cm3 |
| Melting Point: | 80 °C(Solv: hexane (110-54-3)) |
| Boiling Point: | 363.2 °C at 760 mmHg |
| Flash Point: | 168.9 °C |
| PSA: | 0.00000 |
| LogP: | 5.06760 |
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Specification
The 4-Ethynyl-4'-pentyl-1,1'-biphenyl with the CAS number 80563-43-5 is also called 1,1'-biphenyl, 4-ethynyl-4'-pentyl-. The systematic name is 4-ethynyl-4'-pentylbiphenyl. Its molecular formula is C19H20. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP:6.74; (2)# of Rule of 5 Violations:1 ; (3)#H bond acceptors:0; (4)#H bond donors:0; (5)#Freely Rotating Bonds:5; (6)Polar Surface Area:0 Å2; (7)Index of Refraction:1.569; (8)Molar Refractivity:81.66 cm3; (9)Molar Volume:248.9 cm3; (10)Polarizability:32.37×10-24cm3; (11)Surface Tension:41.9 dyne/cm; (12)Enthalpy of Vaporization:58.53 kJ/mol; (13)Vapour Pressure:3.83×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C#Cc2ccc(c1ccc(cc1)CCCCC)cc2
(2)InChI: InChI=1/C19H20/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h2,8-15H,3,5-7H2,1H3
(3)InChIKey: SVHXPGWTCYKGGU-UHFFFAOYAC