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Phenanthrene,9-heptyl-

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Name

Phenanthrene,9-heptyl-

EINECS N/A
CAS No. 23921-10-0 Density 1.012 g/cm3
PSA 0.00000 LogP 6.50590
Solubility N/A Melting Point N/A
Formula C21H24 Boiling Point 428.347 °C at 760 mmHg
Molecular Weight 276.422 Flash Point 208.806 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 23921-10-0 (9-HEPTYL-PHENANTHRENE) Hazard Symbols N/A
Synonyms

9-HEPTYL-PHENANTHRENE

 

Phenanthrene,9-heptyl- Specification

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

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