Basic information
- Name:
Isononane (8CI,9CI)
- CAS No.:
34464-40-9
- Molecular Structure:
- Formula:
- C9H20
- Molecular Weight:
- 128.2551
- Synonyms:
- 2-Methyloctane;
- EINECS:
- 252-053-6
- Density:
- 0.722 g/cm3
- Boiling Point:
- 143.3 °C at 760 mmHg
- Flash Point:
- 25.2 °C
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Specification
The Isononane (8CI, 9CI), with the CAS registry number of 34464-40-9, is also known as Isononane. Its EINECS registry number is 252-053-6. This chemical's molecular formula is C9H20 and molecular weight is 128.2551. What's more, its IUPAC name is 2-Methyloctane.
Physical properties about Isononane (8CI, 9CI) are: (1)ACD/LogP: 5.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.35; (4)ACD/LogD (pH 7.4): 5.35; (5)ACD/BCF (pH 5.5): 6899.04; (6)ACD/BCF (pH 7.4): 6899.04; (7)ACD/KOC (pH 5.5): 19471.34; (8)ACD/KOC (pH 7.4): 19471.34; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.407; (14)Molar Refractivity: 43.7 cm3; (15)Molar Volume: 177.4 cm3; (16)Surface Tension: 22.7 dyne/cm; (17)Density: 0.722 g/cm3; (18)Flash Point: 25.2 °C; (19)Enthalpy of Vaporization: 36.48 kJ/mol; (20)Boiling Point: 143.3 °C at 760 mmHg; (21)Vapour Pressure: 6.73 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)CCCCCC
(2) InChI: InChI=1/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3
(3) InChIKey: ZUBZATZOEPUUQF-UHFFFAOYAO