The Naphthalene,1,2,3,4-tetrahydro-1-phenyl-, with the CAS registry number 3018-20-0, has the systematic name and IUPAC name of 1-phenyl-1,2,3,4-tetrahydronaphthalene. It is also called 1-Phenyltetralin. And the molecular formula of the chemical is C16H16.
The characteristics of Naphthalene,1,2,3,4-tetrahydro-1-phenyl- are as followings: (1)ACD/LogP: 5.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.14; (4)ACD/LogD (pH 7.4): 5.14; (5)ACD/BCF (pH 5.5): 4762.77; (6)ACD/BCF (pH 7.4): 4762.77; (7)ACD/KOC (pH 5.5): 14934.99; (8)ACD/KOC (pH 7.4): 14934.99; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 67.48 cm3; (15)Molar Volume: 200.4 cm3; (16)Polarizability: 26.75×10-24cm3; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.039 g/cm3; (19)Flash Point: 156 °C; (20)Enthalpy of Vaporization: 54.27 kJ/mol; (21)Boiling Point: 323.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0005 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccc2c(c1)CCCC2c3ccccc3
(2)InChI: InChI=1/C16H16/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-5,7-9,11,16H,6,10,12H2
(3)InChIKey: YSPDISPRPJFBCV-UHFFFAOYAO
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