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Name |
Pyridine, 3-octyl- |
EINECS | N/A |
CAS No. | 58069-37-7 | Density | 0.891 g/cm3 |
PSA | 12.89000 | LogP | 3.98460 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H21N | Boiling Point | 274 °C at 760 mmHg |
Molecular Weight | 191.316 | Flash Point | 135.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Octylpyridine; |
Article Data | 1 |
The Pyridine, 3-octyl- has CAS registry number 58069-37-7. This chemical's molecular formula is C13H21N and molecular weight is 191.3125. What's more, its systematic name is 3-Octylpyridine.
Physical properties about Pyridine, 3-octyl- are: (1)ACD/LogP: 4.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.56; (4)ACD/LogD (pH 7.4): 4.9; (5)ACD/BCF (pH 5.5): 1410.07; (6)ACD/BCF (pH 7.4): 3101.35; (7)ACD/KOC (pH 5.5): 4973.1; (8)ACD/KOC (pH 7.4): 10937.98; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 61.69 cm3; (15)Molar Volume: 214.5 cm3; (16)Polarizability: 24.45×10-24 cm3; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 0.891 g/cm3; (19)Flash Point: 135.1 °C; (20)Enthalpy of Vaporization: 49.18 kJ/mol; (21)Boiling Point: 274 °C at 760 mmHg; (22)Vapour Pressure: 0.00928 mmHg at 25 °C.
Preparation of Pyridine, 3-octyl-: this chemical is prepared by 1-Octyl-piperidine. This reaction needs catalysts 3 % Ni, 15 % Cu, 3 % Cr, 3 % Na2SO4/SiO2. The reaction temperature is 380-400 °C. The yield is about 38 %.
You can still convert the following datas into molecular structure:
(1) SMILES: n1cccc(c1)CCCCCCCC
(2) InChI: InChI=1/C13H21N/c1-2-3-4-5-6-7-9-13-10-8-11-14-12-13/h8,10-12H,2-7,9H2,1H3
(3) InChIKey: VRSLSMSXIFJONL-UHFFFAOYAP