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Name |
Pyridine, 3-heptyl- |
EINECS | N/A |
CAS No. | 103037-27-0 | Density | 0.895g/cm3 |
PSA | 12.89000 | LogP | 3.59450 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H19N | Boiling Point | 258.5 °C at 760 mmHg |
Molecular Weight | 177.29 | Flash Point | 123.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Heptylpyridine;Pyridine, 3-heptyl;pyridine, 3-heptyl- |
Article Data | 1 |
The Pyridine, 3-heptyl-, with CAS registry number 103037-27-0, has the systematic name of 3-heptylpyridine. Its molecular weight is 177.286. And the chemical formula of this chemical is C12H19N.
Physical properties of Pyridine, 3-heptyl-: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.03; (4)ACD/LogD (pH 7.4): 4.37; (5)ACD/BCF (pH 5.5): 557.18; (6)ACD/BCF (pH 7.4): 1223.89; (7)ACD/KOC (pH 5.5): 2559.48; (8)ACD/KOC (pH 7.4): 5622.1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 57.05 cm3; (15)Molar Volume: 198 cm3; (16)Polarizability: 22.61×10-24cm3; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 0.895 g/cm3; (19)Flash Point: 123.1 °C; (20)Enthalpy of Vaporization: 47.61 kJ/mol; (21)Boiling Point: 258.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0221 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1cccc(c1)CCCCCCC
(2)InChI: InChI=1/C12H19N/c1-2-3-4-5-6-8-12-9-7-10-13-11-12/h7,9-11H,2-6,8H2,1H3
(3)InChIKey: YQXWJSLWMQLIAC-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C12H19N/c1-2-3-4-5-6-8-12-9-7-10-13-11-12/h7,9-11H,2-6,8H2,1H3
(5)Std. InChIKey: YQXWJSLWMQLIAC-UHFFFAOYSA-N