5-Hexenenitrile,5-methyl- supplier

Name
5-methylhex-5-enenitrile
EINECS 256-629-8
CAS No. 50592-60-4
Article Data8
CAS DataBase
Density 0.824 g/cm³
Solubility
Melting Point
Formula C₇H₁₁N
Boiling Point 175.3 °C at 760 mmHg
Molecular Weight 109.171
Flash Point 66.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols F,T
Synonyms 5-Methyl-5-hexenenitrile;
PSA 23.79000
LogP 2.25638

5-Hexenenitrile,5-methyl- Specification

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

Product Name

5-methylhex-5-enenitrile

5-Hexenenitrile,5-methyl- Specification

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