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| CAS No.: | 150763-13-6 |
|---|---|
| Name: | 4-(4-Ethylcyclohexyl)cyclohexanone |
| Molecular Structure: | |
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| Formula: | C14H24O |
| Molecular Weight: | 208.344 |
| Synonyms: | [4'-Ethyl-1,1'-bicyclohexyl]-4-one; |
| Density: | 0.944 g/cm3 |
| Boiling Point: | 299.395 °C at 760 mmHg |
| Flash Point: | 127.273 °C |
| PSA: | 17.07000 |
| LogP: | 3.96210 |
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Specification
The [1,1'-Bicyclohexyl]-4-one,4'-ethyl has the CAS registry number 150763-13-6. This chemical's molecular formula is C14H24O and molecular weight is 208.34. What's more, its systematic name is 4'-ethyl-1,1'-bi(cyclohexyl)-4-one.
Physical properties of [1,1'-Bicyclohexyl]-4-one,4'-ethyl are: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1165; (6)ACD/BCF (pH 7.4): 1165; (7)ACD/KOC (pH 5.5): 5451; (8)ACD/KOC (pH 7.4): 5451; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 62.842 cm3; (15)Molar Volume: 220.627 cm3; (16)Polarizability: 24.912×10-24cm3; (17)Surface Tension: 33.513 dyne/cm; (18)Density: 0.944 g/cm3; (19)Flash Point: 127.273 °C; (20)Enthalpy of Vaporization: 53.939 kJ/mol; (21)Boiling Point: 299.395 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCC(CC1)C2CCC(CC2)CC
(2)Std. InChI: InChI=1S/C14H24O/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h11-13H,2-10H2,1H3
(3)Std. InChIKey: ICCIOWLZPJIEBA-UHFFFAOYSA-N