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52709-85-0

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Basic Information
CAS No.: 52709-85-0
Name: 4-CYANO-4'-NONYLBIPHENYL
Article Data: 1
Molecular Structure:
Molecular Structure of 52709-85-0 (4-CYANO-4'-NONYLBIPHENYL)
Formula: C22H27N
Molecular Weight: 305.463
Synonyms: 4-Cyano-4'-nonylbiphenyl;4-Nonyl-4'-cyanobiphenyl;
EINECS: 258-121-1
Density: 0.99 g/cm3
Melting Point: 42°C(lit.)
Boiling Point: 446.8 °C at 760 mmHg
Flash Point: 225.6 °C
PSA: 23.79000
LogP: 6.51838
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Specification

The [1,1'-Biphenyl]-4-carbonitrile,4'-nonyl-, with the CAS registry number 52709-85-0, is also known as 4-Cyano-4'-nonylbiphenyl and 4-Nonyl-4'-cyanobiphenyl. Its EINECS registry number is 258-121-1. This chemical's molecular formula is C22H27N and molecular weight is 305.4565. What's more, its systematic name is called 4'-Nonylbiphenyl-4-carbonitrile.

Physical properties about [1,1'-Biphenyl]-4-carbonitrile,4'-nonyl- are: (1)ACD/LogP: 8.01; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.01; (4)ACD/LogD (pH 7.4): 8.01; (5)ACD/BCF (pH 5.5): 714470.56; (6)ACD/BCF (pH 7.4): 714470.56; (7)ACD/KOC (pH 5.5): 539326.88; (8)ACD/KOC (pH 7.4): 539326.88; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 97.69 cm3; (15)Molar Volume: 306.4 cm3; (16)Surface Tension: 42.8 dyne/cm; (17)Density: 0.99 g/cm3; (18)Flash Point: 225.6 °C; (19)Enthalpy of Vaporization: 70.5 kJ/mol; (20)Boiling Point: 446.8 °C at 760 mmHg; (21)Vapour Pressure: 3.54E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc2ccc(c1ccc(cc1)CCCCCCCCC)cc2
(2) InChI: InChI=1/C22H27N/c1-2-3-4-5-6-7-8-9-19-10-14-21(15-11-19)22-16-12-20(18-23)13-17-22/h10-17H,2-9H2,1H3
(3) InChIKey: REDSMJNHKIHBTE-UHFFFAOYAH