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Name |
5-Hexenenitrile,5-methyl- |
EINECS | 256-629-8 |
CAS No. | 50592-60-4 | Density | 0.824 g/cm3 |
PSA | 23.79000 | LogP | 2.25638 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H11N | Boiling Point | 175.3 °C at 760 mmHg |
Molecular Weight | 109.171 | Flash Point | 66.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | F,T | |
Synonyms |
5-Methyl-5-hexenenitrile; |
Article Data | 8 |
The 5-Hexenenitrile,5-methyl- is an organic compound with the formula C7H11N. The IUPAC name of this chemical is 5-methylhex-5-enenitrile. With the CAS registry number 50592-60-4, it is also named as hex-5-enenitrile, 5-methyl-.
Physical properties about 5-Hexenenitrile,5-methyl- are: (1)ACD/LogP: 1.84; (2)ACD/LogD (pH 5.5): 1.84; (3)ACD/LogD (pH 7.4): 1.84; (4)ACD/BCF (pH 5.5): 14.77; (5)ACD/BCF (pH 7.4): 14.77; (6)ACD/KOC (pH 5.5): 239.18; (7)ACD/KOC (pH 7.4): 239.18; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 23.79 Å2; (11)Index of Refraction: 1.426; (12)Molar Refractivity: 33.96 cm3; (13)Molar Volume: 132.3 cm3; (14)Polarizability: 13.46×10-24cm3; (15)Surface Tension: 27.8 dyne/cm; (16)Density: 0.824 g/cm3; (17)Flash Point: 66.5 °C; (18)Enthalpy of Vaporization: 41.16 kJ/mol; (19)Boiling Point: 175.3 °C at 760 mmHg; (20)Vapour Pressure: 1.16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCCC(=C)\C
(2)InChI: InChI=1/C7H11N/c1-7(2)5-3-4-6-8/h1,3-5H2,2H3
(3)InChIKey: NETAIQQWYLQFTM-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H11N/c1-7(2)5-3-4-6-8/h1,3-5H2,2H3
(5)Std. InChIKey: NETAIQQWYLQFTM-UHFFFAOYSA-N