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| CAS No.: | 167858-58-4 |
|---|---|
| Name: | 4-(4-PROPYL-CYCLOHEXYL)-PHENYL ACETYLENE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C17H22 |
| Molecular Weight: | 226.362 |
| Synonyms: | 4-(4-PROPYL-CYCLOHEXYL)-PHENYL ACETYLENE;1-ETHYNYL-4-(4-PROPYL-CYCLOHEXYL)-BENZENE;3-fluoro-4-(trans-4-pentylcyclohexyl)-1,1-Bipheny |
| Density: | 0.95 g/cm3 |
| Boiling Point: | 321.2 °C at 760 mmHg |
| Flash Point: | 142.6 °C |
| PSA: | 0.00000 |
| LogP: | 4.74180 |
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Specification
The Benzene,1-ethynyl-4-(4-propylcyclohexyl)- is an organic compound with the formula C17H22. The systematic name of this chemical is 1-Ethynyl-4-(4-propylcyclohexyl)benzene. With the CAS registry number 167858-58-4, it is also named as 4-(4-Propyl-cyclohexyl)-phenyl acetylene. Besides, its molecular weight is 226.3566.
Physical properties about Benzene,1-ethynyl-4-(4-propylcyclohexyl)- are: (1)ACD/LogP: 6.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.47; (4)ACD/LogD (pH 7.4): 6.47; (5)ACD/BCF (pH 5.5): 49042.57; (6)ACD/BCF (pH 7.4): 49042.57; (7)ACD/KOC (pH 5.5): 79267.39; (8)ACD/KOC (pH 7.4): 79267.39; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.53; (11)Molar Refractivity: 73.39 cm3; (12)Molar Volume: 237.4 cm3; (13)Polarizability: 29.09×10-24 cm3; (14)Surface Tension: 37.7 dyne/cm; (15)Density: 0.95 g/cm3; (16)Flash Point: 142.6 °C; (17)Enthalpy of Vaporization: 54.06 kJ/mol; (18)Boiling Point: 321.2 °C at 760 mmHg; (19)Vapour Pressure: 0.000567 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C17H22/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h2,6-7,10-11,15,17H,3,5,8-9,12-13H2,1H3
(2)InChIKey: HLUVLSYQSNGSKG-UHFFFAOYAS
(3)Std. InChI: InChI=1S/C17H22/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h2,6-7,10-11,15,17H,3,5,8-9,12-13H2,1H3
(4)Std. InChIKey: HLUVLSYQSNGSKG-UHFFFAOYSA-N