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Pyridine, 3-octyl-

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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 Molecular Structure of 58069-37-7 (3-Octylpyridine) Hazard Symbols N/A
Synonyms

3-Octylpyridine;

Article Data 1

Pyridine, 3-octyl- Specification

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 %.

The Pyridine, 3-octyl- can be obtained by 1-Octyl-piperidine.

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

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