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| CAS No.: | 37609-25-9 |
|---|---|
| Name: | 5-Cyclohexadecen-1-one |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C16H28O |
| Molecular Weight: | 236.398 |
| Synonyms: | 5-Cyclohexadecen-1-one, (5Z)-; |
| EINECS: | 253-568-9 |
| Density: | 0.863 g/cm3 |
| Melting Point: | 25 °C |
| Boiling Point: | 354.6 °C at 760 mmHg |
| Flash Point: | 149.6 °C |
| PSA: | 17.07000 |
| LogP: | 5.19660 |
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Specification
The 5-Cyclohexadecen-1-one, with the CAS registry number of 37609-25-9, is also known as 5-Cyclohexadecen-1-one, (5Z)-. Its EINECS registry number is 253-568-9. This chemical's molecular formula is C16H28O and molecular weight is 236.39. What's more, its IUPAC name is (5Z)-Cyclohexadec-5-en-1-one.
Physical properties about the 5-Cyclohexadecen-1-one are: (1)ACD/LogP: 5.98; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.449; (8)Molar Refractivity: 73.52 cm3; (9)Molar Volume: 273.6 cm3; (10)Surface Tension: 28.8 dyne/cm; (11)Density: 0.863 g/cm3; (12)Flash Point: 149.6 °C; (13)Enthalpy of Vaporization: 59.97 kJ/mol; (14)Boiling Point: 354.6 °C at 760 mmHg; (15)Vapour Pressure: 3.31E-05 mmHg at 25 °C.
Preparation: this chemical is prepared by Cyclohexadec-5-enol. The reaction needs reagent H2O2 and solvent H2O. The reaction time is 3 h with reaction temperature of 90 °C. The yield is about 98 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CCCCCCCCCC\C=C/CCC1
(2) InChI: InChI=1/C16H28O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h6,8H,1-5,7,9-15H2/b8-6-
(3) InChIKey: ABRIMXGLNHCLIP-VURMDHGXBR