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| CAS No.: | 1560-89-0 |
|---|---|
| Name: | 2-METHYLHEPTADECANE |
| Molecular Structure: | |
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| Formula: | C18H38 |
| Molecular Weight: | 254.5 |
| Synonyms: | 16-Methylheptadecane;2-Methylheptadecane;Heptadecane, 2-methyl- (8CI)(9CI); |
| Density: | 0.78 g/cm3 |
| Melting Point: | 5.7 °C |
| Boiling Point: | 304.9 °C at 760 mmHg |
| Flash Point: | 108.9 °C |
| PSA: | 0.00000 |
| LogP: | 7.12370 |
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Specification
The Heptadecane, 2-methyl-, with the CAS registry number 1560-89-0, is also known as Heptadecane, 2-methyl- (8CI)(9CI). This chemical's molecular formula is C18H38 and molecular weight is 254.49. What's more, its IUPAC name is 2-Methylheptadecane.
Physical properties of Heptadecane, 2-methyl- are: (1)ACD/LogP: 10.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.14; (4)ACD/LogD (pH 7.4): 10.14; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 7778320.5; (8)ACD/KOC (pH 7.4): 7778320.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 85.39 cm3; (15)Molar Volume: 326 cm3; (16)Polarizability: 33.85×10-24 cm3; (17)Surface Tension: 27.3 dyne/cm; (18)Density: 0.78 g/cm3; (19)Flash Point: 108.9 °C; (20)Enthalpy of Vaporization: 52.35 kJ/mol; (21)Boiling Point: 304.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00153 mmHg at 25 °C.
Preparation: this chemical can be prepared by 2-methyl-heptadecan-6-one at the temperature of 190-200 °C. This reaction will need reagents 85 percent hydrazine hydrate, NaOH and solvent bis-(2-hydroxy-ethyl) ether with the reaction time of 4 hours. The yield is about 85%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCC(C)C
(2)InChI: InChI=1S/C18H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h18H,4-17H2,1-3H3
(3)InChIKey: RJWUMFHQJJBBOD-UHFFFAOYSA-N