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| CAS No.: | 73592-81-1 |
|---|---|
| Name: | 4-(4-ETHYLCYCLOHEXYL)BENZONITRILE |
| Molecular Structure: | |
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| Formula: | C15H19N |
| Molecular Weight: | 213.32 |
| Synonyms: | p-(4-Ethylcyclohexyl)benzonitrile; |
| EINECS: | 277-084-2 |
| Density: | 0.998 g/cm3 |
| Melting Point: | 41 °C |
| Boiling Point: | 336.827 °C at 760 mmHg |
| Flash Point: | 158.222 °C |
| Appearance: | Liquid Crystals |
| PSA: | 23.79000 |
| LogP: | 4.24208 |
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- Total:30 Page 1 of 1 1
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Specification
4-(4-Ethylcyclohexyl)benzonitrile, with the CAS registry number 73592-81-1, is also named as p-(4-Ethylcyclohexyl)benzonitrile. It belongs to the product categories of Cyclohexyl phenyl compounds; Benzonitriles (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials. This chemical's molecular formula is C15H19N and molecular weight is 213.32. What's more, its systematic name is 4-(4-Ethylcyclohexyl)benzonitrile.
Physical properties of 4-(4-Ethylcyclohexyl)benzonitrile are: (1)ACD/LogP:; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.25; (4)ACD/LogD (pH 7.4): 5.25; (5)ACD/BCF (pH 5.5): 5705.75; (6)ACD/BCF (pH 7.4): 5705.75; (7)ACD/KOC (pH 5.5): 16996.54; (8)ACD/KOC (pH 7.4): 16996.54; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 66.274 cm3; (15)Molar Volume: 213.651 cm3; (16)Polarizability: 26.273×10-24cm3; (17)Surface Tension: 40.3 dyne/cm; (18)Density: 0.998 g/cm3; (19)Flash Point: 158.222 °C; (20)Enthalpy of Vaporization: 58.002 kJ/mol; (21)Boiling Point: 336.827 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1)C2CCC(CC)CC2
(2)Std. InChI: InChI=1S/C15H19N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h5-6,9-10,12,14H,2-4,7-8H2,1H3
(3)Std. InChIKey: BBHJTCADCKZYSO-UHFFFAOYSA-N