Heptanenitrile, 2-propyl- supplier

Name
Heptanenitrile,2-propyl-
EINECS 428-160-0
CAS No. 208041-98-9
Density 0.817 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₉N
Boiling Point 232.4 °C at 760 mmHg
Molecular Weight 153.26456
Flash Point 114.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Heptanenitrile,2-propyl-;Heptannitril, 2-propyl-
PSA 23.79000
LogP 3.50658

Heptanenitrile, 2-propyl- Specification

The Heptanenitrile, 2-propyl- is an organic compound with the formula C₁₀H₁₉N. The systematic name of this chemical is 2-Propylheptanenitrile. With the CAS registry number 208041-98-9, it is also named as Jasmonitrile. Besides, its molecular weight is 153.26456.

Physical properties about Heptanenitrile, 2-propyl- are: (1)ACD/LogP: 3.62; (2)ACD/LogD (pH 5.5): 3.62; (3)ACD/LogD (pH 7.4): 3.62; (4)ACD/BCF (pH 5.5): 331.84; (5)ACD/BCF (pH 7.4): 331.84; (6)ACD/KOC (pH 5.5): 2218.65; (7)ACD/KOC (pH 7.4): 2218.65; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 23.79 Å²; (11)Index of Refraction: 1.428; (12)Molar Refractivity: 48.24 cm³; (13)Molar Volume: 187.3 cm³; (14)Polarizability: 19.12×10^-24 cm³; (15)Surface Tension: 29.2 dyne/cm; (16)Density: 0.817 g/cm³; (17)Flash Point: 114.2 °C; (18)Enthalpy of Vaporization: 46.91 kJ/mol; (19)Boiling Point: 232.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0592 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCC(CCC)C#N
(2)InChI: InChI=1/C10H19N/c1-3-5-6-8-10(9-11)7-4-2/h10H,3-8H2,1-2H3
(3)InChIKey: NJABNUVNVZSEGN-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H19N/c1-3-5-6-8-10(9-11)7-4-2/h10H,3-8H2,1-2H3
(5)Std. InChIKey: NJABNUVNVZSEGN-UHFFFAOYSA-N

Product Name

Heptanenitrile,2-propyl-

Heptanenitrile, 2-propyl- Specification

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