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CAS No.: | 23921-10-0 |
---|---|
Name: | 9-HEPTYL-PHENANTHRENE |
Molecular Structure: | |
Formula: | C21H24 |
Molecular Weight: | 276.422 |
Synonyms: | 9-HEPTYL-PHENANTHRENE |
Density: | 1.012 g/cm3 |
Boiling Point: | 428.347 °C at 760 mmHg |
Flash Point: | 208.806 °C |
PSA: | 0.00000 |
LogP: | 6.50590 |
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The Phenanthrene,9-heptyl- is an organic compound with the formula C21H24. The systematic name of this chemical is 9-heptylphenanthrene. With the CAS registry number 23921-10-0, it is also named as 9-Heptyl-phenanthrene.
Physical properties about Phenanthrene,9-heptyl- are: (1)ACD/LogP: 8.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.145; (4)ACD/LogD (pH 7.4): 8.145; (5)ACD/BCF (pH 5.5): 912414.563; (6)ACD/BCF (pH 7.4): 912414.563; (7)ACD/KOC (pH 5.5): 642502.313; (8)ACD/KOC (pH 7.4): 642502.313; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.61; (11)Molar Refractivity: 94.652 cm3; (12)Molar Volume: 273.016 cm3; (13)Polarizability: 37.523×10-24cm3; (14)Surface Tension: 40.907 dyne/cm; (15)Density: 1.012 g/cm3; (16)Flash Point: 208.806 °C; (17)Enthalpy of Vaporization: 65.703 kJ/mol; (18)Boiling Point: 428.347 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCc1cc2ccccc2c3c1cccc3
(2)InChI: InChI=1/C21H24/c1-2-3-4-5-6-11-17-16-18-12-7-8-13-19(18)21-15-10-9-14-20(17)21/h7-10,12-16H,2-6,11H2,1H3
(3)InChIKey: VMHPGLJEZIRMJJ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C21H24/c1-2-3-4-5-6-11-17-16-18-12-7-8-13-19(18)21-15-10-9-14-20(17)21/h7-10,12-16H,2-6,11H2,1H3
(5)Std. InChIKey: VMHPGLJEZIRMJJ-UHFFFAOYSA-N