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133792-15-1

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Basic Information
CAS No.: 133792-15-1
Name: 4-CYANO-4'-ETHYL-P,P-TERPHENYL
Molecular Structure:
Molecular Structure of 133792-15-1 (4-CYANO-4'-ETHYL-P,P-TERPHENYL)
Formula: C21H17N
Molecular Weight: 283.37
Synonyms: 2CT;4-CYANO-4-ETHYL-P,P-TERPHENYL;4-N-ETHYL-1,1:4,1-TERPHENYL-4-CARBONITRILE;4-cyano-4-ethylterphenyl
Density: 1.126 g/cm3
Boiling Point: 416.324 °C at 760 mmHg
Flash Point: 206.944 °C
PSA: 23.79000
LogP: 5.45468
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Specification

The [1,1':4',1''-Terphenyl]-4-carbonitrile,4''-ethyl-, with CAS registry number 133792-15-1, has the systematic name of 4-(4-ethylphenyl)-3-phenyl-benzonitrile. Besides this, it is also called 4-Cyano-4'-ethyl-p,p-terphenyl. And the chemical formula of this chemical is C21H17N.

Physical properties of [1,1':4',1''-Terphenyl]-4-carbonitrile,4''-ethyl-: (1)ACD/LogP: 5.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.521; (4)ACD/LogD (pH 7.4): 5.521; (5)ACD/BCF (pH 5.5): 9245.334; (6)ACD/BCF (pH 7.4): 9245.334; (7)ACD/KOC (pH 5.5): 24010.285; (8)ACD/KOC (pH 7.4): 24010.285; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 89.986 cm3; (15)Molar Volume: 251.604 cm3; (16)Polarizability: 35.673×10-24cm3; (17)Surface Tension: 51.948 dyne/cm; (18)Density: 1.126 g/cm3; (19)Flash Point: 206.944 °C; (20)Enthalpy of Vaporization: 66.954 kJ/mol; (21)Boiling Point: 416.324 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCc1ccc(cc1)c2ccc(cc2c3ccccc3)C#N
(2)InChI: InChI=1/C21H17N/c1-2-16-8-11-19(12-9-16)20-13-10-17(15-22)14-21(20)18-6-4-3-5-7-18/h3-14H,2H2,1H3
(3)InChIKey: YPKJRPLDMZZFRG-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C21H17N/c1-2-16-8-11-19(12-9-16)20-13-10-17(15-22)14-21(20)18-6-4-3-5-7-18/h3-14H,2H2,1H3
(5)Std. InChIKey: YPKJRPLDMZZFRG-UHFFFAOYSA-N