Phenanthrene, 3-ethyl- (1576-68-7)

The 3-Ethylphenanthrene, with the CAS registry number 1576-68-7, is also known as Phenanthrene, 3-ethyl-. This chemical's molecular formula is C₁₆H₁₄ and molecular weight is 206.28. Its IUPAC name and systematic name are the same which is called 3-ethylphenanthrene.

Physical properties of 3-Ethylphenanthrene: (1)ACD/LogP: 5.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.67; (4)ACD/LogD (pH 7.4): 5.67; (5)ACD/BCF (pH 5.5): 12023.79; (6)ACD/BCF (pH 7.4): 12023.79; (7)ACD/KOC (pH 5.5): 28978.9; (8)ACD/KOC (pH 7.4): 28978.9; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.673; (11)Molar Refractivity: 71.48 cm³; (12)Molar Volume: 190.4 cm³; (13)Surface Tension: 44.3 dyne/cm; (14)Density: 1.082 g/cm³; (15)Flash Point: 165.1 °C; (16)Enthalpy of Vaporization: 58.64 kJ/mol; (17)Boiling Point: 364.3 °C at 760 mmHg; (18)Vapour Pressure: 3.57E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1=CC2=C(C=CC3=CC=CC=C32)C=C1
(2)InChI: InChI=1S/C16H14/c1-2-12-7-8-14-10-9-13-5-3-4-6-15(13)16(14)11-12/h3-11H,2H2,1H3
(3)InChIKey: DMORSDDZFWLSNI-UHFFFAOYSA-N