Basic Information | Post buying leads | Suppliers | Cas Database |
The 1,5-Octadien-3-one,(5Z)-, with the CAS registry number 65767-22-8, is also known as octadien-3-one, 1,5(Z). This chemical's molecular formula is C8H12O and molecular weight is 124.18028. Its IUPAC name is called (5Z)-octa-1,5-dien-3-one.
Physical properties of 1,5-Octadien-3-one,(5Z)-: (1)ACD/LogP: 1.92; (2)ACD/LogD (pH 5.5): 1.92; (3)ACD/LogD (pH 7.4): 1.92; (4)ACD/BCF (pH 5.5): 17; (5)ACD/BCF (pH 7.4): 17; (6)ACD/KOC (pH 5.5): 264.47; (7)ACD/KOC (pH 7.4): 264.47; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.444; (11)Molar Refractivity: 38.92 cm3; (12)Molar Volume: 146.4 cm3; (13)Surface Tension: 26.3 dyne/cm; (14)Density: 0.848 g/cm3; (15)Flash Point: 53.5 °C; (16)Enthalpy of Vaporization: 40.55 kJ/mol; (17)Boiling Point: 169.1 °C at 760 mmHg; (18)Vapour Pressure: 1.57 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C=C)C\C=C/CC
(2)InChI: InChI=1/C8H12O/c1-3-5-6-7-8(9)4-2/h4-6H,2-3,7H2,1H3/b6-5-
(3)InChIKey: VWYBQOFZVSNDAW-WAYWQWQTBQ