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Basic Information
CAS No.: 3674-75-7
Name: 9-Ethylphenanthrene
Molecular Structure:
Molecular Structure of 3674-75-7 (9-Ethylphenanthrene)
Formula: C16H14
Molecular Weight: 206.287
Synonyms: Phenanthrene, 9-ethyl-;Phenanthrene, 9-ethyl- (8CI)(9CI);9-ethyl-phenanthrene;
Density: 1.082g/cm3
Melting Point: 62.5°C
Boiling Point: 364.3°Cat760mmHg
Flash Point: 165.1°C
PSA: 0.00000
LogP: 4.55540
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Specification

The 9-Ethylphenanthrene with its cas register number is 3674-75-7. It also can be called as Phenanthrene, 9-ethyl- (8CI)(9CI) and the IUPAC Name about this chemical is 9-ethylphenanthrene.

Physical properties about 9-Ethylphenanthrene are: (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)Polarizability: 28.33x10-24cm3; (14)Surface Tension: 44.3 dyne/cm; (15)Enthalpy of Vaporization: 58.64 kJ/mol; (16)Vapour Pressure: 3.57E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC2=CC=CC=C2C3=CC=CC=C31
(2)InChI: InChI=1S/C16H14/c1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16/h3-11H,2H2,1H3
(3)InChIKey: ZWANHXINCHPSIK-UHFFFAOYSA-N