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Name |
Naphthalene, dodecyl- |
EINECS | 254-054-7 |
CAS No. | 38641-16-6 | Density | 0.922 g/cm3 |
PSA | 0.00000 | LogP | 7.30320 |
Solubility | N/A | Melting Point |
30 °C |
Formula | C22H32 | Boiling Point | 416.8 °C at 760 mmHg |
Molecular Weight | 296.49 | Flash Point | 228.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Dodecylnaphthalene;1-Dodecylnaphthalene; |
The Naphthalene, dodecyl-, with the CAS registry number 38641-16-6, is also known as Dodecylnaphthalene. Its EINECS number is 254-054-7. This chemical's molecular formula is C22H32 and molecular weight is 296.49. What's more, its systematic name is 1-dodecylnaphthalene. It should be sealed and stored in a cool and dry place.
Physical properties of Naphthalene, dodecyl- are: (1)ACD/LogP: 9.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.75; (4)ACD/BCF (pH 5.5): 1000000; (5)ACD/KOC (pH 5.5): 4820881.5; (6)#Freely Rotating Bonds: 11; (7)Index of Refraction: 1.534; (8)Molar Refractivity: 99.97 cm3; (9)Molar Volume: 321.4 cm3; (10)Polarizability: 39.63×10-24cm3; (11)Surface Tension: 35.6 dyne/cm; (12)Density: 0.922 g/cm3; (13)Flash Point: 228.5 °C; (14)Enthalpy of Vaporization: 64.41 kJ/mol; (15)Boiling Point: 416.8 °C at 760 mmHg; (16)Vapour Pressure: 8.99E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-chloro-dodecane, naphthalen-1-yl-boronic acid at the temperature of 20 °C. This reaction will need reagents Pd(OAc)2, 1,3,5,7-Me4-6-(2,4-MeO2-Ph)-2,4,8-trioxa-6-phosphaadamantane, potassium tert-butoxide and solvent dioxane with the reaction time of 29 hours. The yield is about 59%.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc2cccc(c12)CCCCCCCCCCCC
(2)InChI: InChI=1S/C22H32/c1-2-3-4-5-6-7-8-9-10-11-15-20-17-14-18-21-16-12-13-19-22(20)21/h12-14,16-19H,2-11,15H2,1H3
(3)InChIKey: UVMGANPLBFFQIO-UHFFFAOYSA-N