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CAS No.: | 84540-33-0 |
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Name: | trans-p-(4-Heptylcyclohexyl)phenetole |
Molecular Structure: | |
Formula: | C21H34O |
Molecular Weight: | 302.4941 |
Synonyms: | trans-p-(4-heptylcyclohexyl)phenetole;1-Ethoxy-4-(4β-heptylcyclohexan-1α-yl)benzene;Einecs 283-126-0 |
EINECS: | 283-126-0 |
Density: | 0.913 g/cm3 |
Boiling Point: | 404.8 °C at 760 mmHg |
Flash Point: | 210.2 °C |
PSA: | 9.23000 |
LogP: | 6.71960 |
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The trans-p-(4-Heptylcyclohexyl)phenetole has CAS registry number 84540-33-0. Its molecular formula is C21H34O and molecular weight is 302.4941. What's more, its systematic name is 1-Ethoxy-4-(4-heptylcyclohexyl)benzene.
Physical properties about the trans-p-(4-Heptylcyclohexyl)phenetole are: (1)ACD/LogP: 8.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.86; (4)ACD/LogD (pH 7.4): 8.86; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1582976; (8)ACD/KOC (pH 7.4): 1582976; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 95.91 cm3; (15)Molar Volume: 331.2 cm3; (16)Surface Tension: 32.8 dyne/cm; (17)Density: 0.913 g/cm3; (18)Flash Point: 210.2 °C; (19)Enthalpy of Vaporization: 63.08 kJ/mol; (20)Boiling Point: 404.8 °C at 760 mmHg; (21)Vapour Pressure: 2.15E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1)C2CCC(CCCCCCC)CC2)CC
(2) InChI: InChI=1/C21H34O/c1-3-5-6-7-8-9-18-10-12-19(13-11-18)20-14-16-21(17-15-20)22-4-2/h14-19H,3-13H2,1-2H3
(3) InChIKey: YZIKHUQFVVONNB-UHFFFAOYAV