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66291-32-5

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Basic Information
CAS No.: 66291-32-5
Name: 3,9-DIMETHYLPHENANTHRENE
Article Data: 3
Cas Database
Molecular Structure:
Molecular Structure of 66291-32-5 (3,9-DIMETHYLPHENANTHRENE)
Formula: C16H14
Molecular Weight: 206.287
Synonyms: 3,9-Dimethylphenanthrene;
Density: 1.084 g/cm3
Melting Point: 62 °C(Solv: methanol (67-56-1))
Boiling Point: 369.6 °C at 760 mmHg
Flash Point: 168.4 °C
PSA: 0.00000
LogP: 4.60980
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Specification

The Phenanthrene,3,9-dimethyl- is an organic compound with the formula C16H14. With the CAS registry number 66291-32-5, the systematic name of this chemical is 3,9-dimethylphenanthrene.

Physical properties about Phenanthrene,3,9-dimethyl- are: (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)Index of Refraction: 1.676; (10)Molar Refractivity: 71.58 cm3; (11)Molar Volume: 190.2 cm3; (12)Polarizability: 28.37×10-24cm3; (13)Surface Tension: 44.1 dyne/cm; (14)Density: 1.084 g/cm3; (15)Flash Point: 168.4 °C; (16)Enthalpy of Vaporization: 59.22 kJ/mol; (17)Boiling Point: 369.6 °C at 760 mmHg; (18)Vapour Pressure: 2.49E-05 mmHg at 25°C.

Uses of Phenanthrene,3,9-dimethyl-: it can be used to produce 3,9-dimethylphenanthrene-d14 at temperature of 400 - 410 °C. It will need reagent deuterium oxide, sodium deuteroxide with reaction time of 12 hours. The yield is about 83%.

You can still convert the following datas into molecular structure:
(1)SMILES: c3cc2c(cc1ccc(cc1c2cc3)C)C
(2)InChI: InChI=1/C16H14/c1-11-7-8-13-10-12(2)14-5-3-4-6-15(14)16(13)9-11/h3-10H,1-2H3
(3)InChIKey: MXXOWAVGWFQJHQ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C16H14/c1-11-7-8-13-10-12(2)14-5-3-4-6-15(14)16(13)9-11/h3-10H,1-2H3
(5)Std. InChIKey: MXXOWAVGWFQJHQ-UHFFFAOYSA-N