Basic Information | Post buying leads | Suppliers |
Name |
Pentanenitrile,4-methyl-3-oxo- |
EINECS | N/A |
CAS No. | 29509-06-6 | Density | 0.938 g/cm3 |
PSA | 40.86000 | LogP | 1.12518 |
Solubility | N/A | Melting Point |
62-65 °C |
Formula | C6H9NO | Boiling Point | 160.054 °C at 760 mmHg |
Molecular Weight | 111.144 | Flash Point | 50.599 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Valeronitrile,4-methyl-3-oxo- (6CI,8CI);3-Oxo-4-methylpentanenitrile;4-Methyl-3-oxopentanenitrile;Isobutyrylacetonitrile;Isopropyl cyanomethylketone; |
The Pentanenitrile,4-methyl-3-oxo-, with the CAS registry number 29509-06-6, is also known as 4-Methyl-3-oxo-pentanenitrile. This chemical's molecular formula is C6H9NO and molecular weight is 111.14. Its systematic name is called 4-methyl-3-oxopentanenitrile.
Physical properties of Pentanenitrile,4-methyl-3-oxo-: (1)ACD/LogP: 0.40; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 31; (5)ACD/KOC (pH 7.4): 30; (6)#H bond acceptors: 2; (7)#Freely Rotating Bonds: 2; (8)Index of Refraction: 1.416; (9)Molar Refractivity: 29.748 cm3; (10)Molar Volume: 118.456 cm3; (11)Surface Tension: 31.941 dyne/cm; (12)Density: 0.938 g/cm3; (13)Flash Point: 50.599 °C; (14)Enthalpy of Vaporization: 39.667 kJ/mol; (15)Boiling Point: 160.054 °C at 760 mmHg; (16)Vapour Pressure: 2.43 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCC(=O)C(C)C
(2)InChI: InChI=1/C6H9NO/c1-5(2)6(8)3-4-7/h5H,3H2,1-2H3
(3)InChIKey: VKZGTORDNRVMIN-UHFFFAOYAK