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CAS No.: | 5325-97-3 |
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Name: | 1,2,3,4,5,6,7,8-OCTAHYDROPHENANTHRENE |
Article Data: | 68 |
Molecular Structure: | |
Formula: | C14H18 |
Molecular Weight: | 186.297 |
Synonyms: | 1,2,3,4,5,6,7,8-Octahydrophenanthrene;NSC 240;sym-Octahydrophenanthrene; |
EINECS: | 226-199-6 |
Density: | 1.017 g/cm3 |
Melting Point: | 16.7°C |
Boiling Point: | 295 °C at 760 mmHg |
Flash Point: | 132.2 °C |
PSA: | 0.00000 |
LogP: | 3.44420 |
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The Phenanthrene,1,2,3,4,5,6,7,8-octahydro-, with the CAS registry number 5325-97-3, is also known as sym-Octahydrophenanthrene. This chemical's molecular formula is C14H18 and molecular weight is 186.29. What's more, its systematic name is 1,2,3,4,5,6,7,8-Octahydrophenanthrene and its EINECS number is 226-199-6.
Physical properties of Phenanthrene,1,2,3,4,5,6,7,8-octahydro- are: (1)ACD/LogP: 5.59; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.59; (4)ACD/LogD (pH 7.4): 5.59; (5)ACD/BCF (pH 5.5): 10424.31; (6)ACD/BCF (pH 7.4): 10424.31; (7)ACD/KOC (pH 5.5): 26164.23; (8)ACD/KOC (pH 7.4): 26164.23; (9)Index of Refraction: 1.567; (10)Molar Refractivity: 59.82 cm3; (11)Molar Volume: 183 cm3; (12)Polarizability: 23.71×10-24 cm3; (13)Surface Tension: 39.7 dyne/cm; (14)Density: 1.017 g/cm3; (15)Flash Point: 132.2 °C; (16)Enthalpy of Vaporization: 51.33 kJ/mol; (17)Boiling Point: 295 °C at 760 mmHg; (18)Vapour Pressure: 0.00276 mmHg at 25°C; (19)Heavy Atom Count: 14; (20)Complexity: 174; (21)Covalently-Bonded Unit Count: 1.
Preparation: this chemical can be prepared by phenanthrene at the temperature of 20 °C. This reaction will need reagents Et2NH, Li and solvent tetrahydrofuran with the reaction time of 2 hours. The yield is about 60%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC2=C(C1)C=CC3=C2CCCC3
(2)InChI: InChI=1S/C14H18/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h9-10H,1-8H2
(3)InChIKey: YSZLFGZFQTTZIQ-UHFFFAOYSA-N