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CAS No.: | 483-87-4 |
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Name: | 1,7-Dimethylphenanthrene |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C16H14 |
Molecular Weight: | 206.287 |
Synonyms: | Pimanthrene;Phenanthrene,1,7-dimethyl-;Phenanthrene, 1,7-dimethyl-; |
Density: | 1.084 g/cm3 |
Boiling Point: | 369.6 °C at 760 mmHg |
Flash Point: | 168.4 °C |
PSA: | 0.00000 |
LogP: | 9.21960 |
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This chemical is called 1,7-Dimethylphenanthrene, and it can also be named as Pimanthrene. With the molecular formula of C16H14, its molecular weight is 206.28. The CAS registry number of this chemical is 483-87-4.
Other characteristics of the 1,7-Dimethylphenanthrene can be summarised as followings: (1)ACD/LogP: 5.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.6; (4)ACD/LogD (pH 7.4): 5.6; (5)ACD/BCF (pH 5.5): 10613.87; (6)ACD/BCF (pH 7.4): 10613.87; (7)ACD/KOC (pH 5.5): 26503.9; (8)ACD/KOC (pH 7.4): 26503.9; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 71.58 cm3; (15)Molar Volume: 190.2 cm3; (16)Polarizability: 28.37×10-24cm3; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.084 g/cm3; (19)Flash Point: 168.4 °C; (20)Enthalpy of Vaporization: 59.22 kJ/mol; (21)Boiling Point: 369.6 °C at 760 mmHg; (22)Vapour Pressure: 2.49E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.Canonical SMILES: CC1=CC2=C(C=C1)C3=C(C=C2)C(=CC=C3)C
2.InChI: InChI=1S/C16H14/c1-11-6-8-15-13(10-11)7-9-14-12(2)4-3-5-16(14)15/h3-10H,1-2H3
3.InChIKey: NZCMUISOTIPJAM-UHFFFAOYSA-N