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CAS No.: | 34464-38-5 |
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Name: | isodecane |
Molecular Structure: | |
Formula: | C10H22 |
Molecular Weight: | 142.28 |
Synonyms: | 2-Methylnonane;Octane,dimethyl-;Nonane,2-methyl-; |
EINECS: | 252-052-0 |
Density: | 0.733 g/cm3 |
Boiling Point: | 166.9 °C at 760 mmHg |
Flash Point: | 38.3 °C |
PSA: | 0.00000 |
LogP: | 4.00290 |
The CAS registry number of Isodecane (7Cl,8Cl,9Cl) is 34464-38-5. Its EINECS registry number is 252-052-0. The IUPAC name is 2-methylnonane. In addition, the molecular formula is C10H22 and the molecular weight is 142.28. It should be stored in a cool and dry place.
Physical properties about Isodecane (7Cl,8Cl,9Cl) are: (1)ACD/LogP: 5.89; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.89; (4)ACD/LogD (pH 7.4): 5.89; (5)ACD/BCF (pH 5.5): 17482.93; (6)ACD/BCF (pH 7.4): 17482.93; (7)ACD/KOC (pH 5.5): 37883.51; (8)ACD/KOC (pH 7.4): 37883.51; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.412; (11)Molar Refractivity: 48.33 cm3; (12)Molar Volume: 193.9 cm3; (13)Polarizability: 19.16 ×10-24cm3; (14)Surface Tension: 23.5 dyne/cm; (15)Density: 0.733 g/cm3; (16)Flash Point: 38.3 °C; (17)Enthalpy of Vaporization: 38.23 kJ/mol; (18)Boiling Point: 166.9 °C at 760 mmHg; (19)Vapour Pressure: 2.3 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(CCCCCCC)C
(2)InChI: InChI=1/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3
(3)InChIKey: SGVYKUFIHHTIFL-UHFFFAOYAG