Decanenitrile,2-methyl- supplier

Name
2-METHYLDECANONITRILE
EINECS 273-960-3
CAS No. 69300-15-8
Article Data7
CAS DataBase
Density 0.82 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₁N
Boiling Point 250.9 °C at 760 mmHg
Molecular Weight 167.294
Flash Point 128.9 °C
Transport Information
Appearance COLOURLESS LIQUID
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methyldecanenitrile;Frutonile;
PSA 23.79000
LogP 3.89668

Decanenitrile,2-methyl- Specification

The Decanenitrile,2-methyl-, with the CAS registry number 69300-15-8, is also known as 2-Methyl-decanonitril and Frutonile. Its EINECS registry number is 273-960-3. This chemical's molecular formula is C₁₁H₂₁N and molecular weight is 167.29. What's more, both its IUPAC name and systematic name are the same which is called 2-Methyldecanenitrile.

Physical properties about Decanenitrile,2-methyl- are: (1)ACD/LogP: 4.15; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 840.93; (6)ACD/BCF (pH 7.4): 840.93; (7)ACD/KOC (pH 5.5): 4316.61; (8)ACD/KOC (pH 7.4): 4316.61; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 23.79Å²; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 52.88 cm³; (15)Molar Volume: 203.8 cm³; (16)Surface Tension: 29.5 dyne/cm; (17)Density: 0.82 g/cm³; (18)Flash Point: 128.9 °C; (19)Enthalpy of Vaporization: 48.82 kJ/mol; (20)Boiling Point: 250.9 °C at 760 mmHg; (21)Vapour Pressure: 0.021 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CC(CCCCCCCC)C
(2) InChI: InChI=1/C11H21N/c1-3-4-5-6-7-8-9-11(2)10-12/h11H,3-9H2,1-2H3
(3) InChIKey: XPCSGXMQGQGBKU-UHFFFAOYAX

Product Name

2-METHYLDECANONITRILE

Decanenitrile,2-methyl- Specification

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