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Basic Information
CAS No.: 61204-02-2
Name: trans-4-(4-hexylcyclohexyl)benzonitrile
Article Data: 2
Molecular Structure:
Molecular Structure of 61204-02-2 (trans-4-(4-hexylcyclohexyl)benzonitrile)
Formula: C19H27N
Molecular Weight: 269.43
Synonyms: Benzonitrile,4-(4-hexylcyclohexyl)-, trans-;4-(trans-4'-Hexylcyclohexyl)cyanobenzene;4-(trans-4'-n-Hexylcyclohexyl)-1-cyanobenzene;trans-4-Hexyl(4'-cyanophenyl)cyclohexane;
EINECS: 262-657-1
Density: 0.96 g/cm3
Boiling Point: 395.3 °C at 760 mmHg
Flash Point: 194 °C
PSA: 23.79000
LogP: 5.80248
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Specification

This chemical is called Benzonitrile, 4-(trans-4-hexylcyclohexyl)-, and it can also be named as trans-4-(4-Hexylcyclohexyl)benzonitrile. With the molecular formula of C19H27N, its molecular weight is 269.42. The CAS registry number of this chemical is 61204-02-2.

Other characteristics of the Benzonitrile, 4-(trans-4-hexylcyclohexyl)- can be summarised as followings: (1)ACD/LogP: 7.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.32; (4)ACD/LogD (pH 7.4): 7.32; (5)ACD/BCF (pH 5.5): 216681.64; (6)ACD/BCF (pH 7.4): 216681.64; (7)ACD/KOC (pH 5.5): 229591.95; (8)ACD/KOC (pH 7.4): 229591.95; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 84.79 cm3; (15)Molar Volume: 278.8 cm3; (16)Polarizability: 33.61×10-24cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 0.96 g/cm3; (19)Flash Point: 194 °C; (20)Enthalpy of Vaporization: 64.54 kJ/mol; (21)Boiling Point: 395.3 °C at 760 mmHg; (22)Vapour Pressure: 1.86E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: N#Cc1ccc(cc1)C2CCC(CCCCCC)CC2
2.InChI: InChI=1/C19H27N/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(15-20)10-14-19/h9-10,13-14,16,18H,2-8,11-12H2,1H3
3.InChIKey: YEPXKTSYILRSQX-UHFFFAOYAZ