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| CAS No.: | 27070-58-2 |
|---|---|
| Name: | Octadecene |
| Molecular Structure: | |
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| Formula: | C18H36 |
| Molecular Weight: | 252.4784 |
| Synonyms: | n-Octadecene; |
| EINECS: | 248-205-6 |
| Density: | 0.787 g/cm3 |
| Boiling Point: | 314.4 °C at 760 mmHg |
| Flash Point: | 148.9 °C |
| Solubility: | 150ng/L at 25℃ |
| PSA: | 0.00000 |
| LogP: | 7.04380 |
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Specification
The Octadecene, with the CAS registry number 27070-58-2, is also known as Linear octadecene. Its EINECS registry number is 248-205-6. This chemical's molecular formula is C18H36 and molecular weight is 252.47844. Its IUPAC name is called octadec-1-ene. This chemical is used in the synthesis of colloidal quantum dots, but it can possibly be replaced by heat transfer fluids, like Dowtherm A or Therminol 66 in this process.
Physical properties of Octadecene: (1)ACD/LogP: 9.81; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.81; (4)ACD/LogD (pH 7.4): 9.81; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5170237.5; (8)ACD/KOC (pH 7.4): 5170237.5; (9)#Freely Rotating Bonds: 15; (10)Index of Refraction: 1.443; (11)Molar Refractivity: 85.16 cm3; (12)Molar Volume: 320.7 cm3; (13)Surface Tension: 27.9 dyne/cm; (14)Density: 0.787 g/cm3; (15)Flash Point: 148.9 °C; (16)Enthalpy of Vaporization: 53.34 kJ/mol; (17)Boiling Point: 314.4 °C at 760 mmHg; (18)Vapour Pressure: 0.000863 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCC=C
(2)InChI: InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3
(3)InChIKey: CCCMONHAUSKTEQ-UHFFFAOYSA-N