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CAS No.: | 148462-51-5 |
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Name: | 1,2,3-trifluoro-5-(4-heptylcyclohexyl)benzene |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C19H27F3 |
Molecular Weight: | 312.419 |
Synonyms: | Benzene,1,2,3-trifluoro-5-(4-heptylcyclohexyl)-,trans-;1,2,3-trifluoro-5-(4-heptylcyclohexyl)benzene; |
Density: | 1.03 g/cm3 |
Boiling Point: | 347.639 °C at 760 mmHg |
Flash Point: | 188.499 °C |
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The CAS registry number of Benzene,1,2,3-trifluoro-5-(trans-4-heptylcyclohexyl)- is 148462-51-5. The IUPAC name is 1,2,3-trifluoro-5-(4-heptylcyclohexyl)benzene. In addition, the molecular formula is C19H27F3 and the molecular weight is 312.41. It should be stored in a cool and dry place.
Physical properties about Benzene,1,2,3-trifluoro-5-(trans-4-heptylcyclohexyl)- are: (1)ACD/LogP: 8.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.15; (4)ACD/LogD (pH 7.4): 8.15; (5)ACD/BCF (pH 5.5): 919885.313; (6)ACD/BCF (pH 7.4): 919885.313; (7)ACD/KOC (pH 5.5): 646263.375; (8)ACD/KOC (pH 7.4): 646263.375; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.47; (11)Molar Refractivity: 84.587 cm3; (12)Molar Volume: 303.373 cm3; (13)Polarizability: 33.533 ×10-24cm3; (14)Surface Tension: 31.383 dyne/cm; (15)Density: 1.03 g/cm3; (16)Flash Point: 188.499 °C; (17)Enthalpy of Vaporization: 56.855 kJ/mol; (18)Boiling Point: 347.639 °C at 760 mmHgVapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCC[C@H]1CC[C@@H](CC1)c2cc(c(c(c2)F)F)F
(2)InChI: InChI=1/C19H27F3/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)16-12-17(20)19(22)18(21)13-16/h12-15H,2-11H2,1H3/t14-,15-
(3)InChIKey: QHEALGLHEQZOBR-SHTZXODSBY