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CAS No.: | 29965-97-7 |
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Name: | Cyclooctadiene |
Molecular Structure: | |
Formula: | C8H12 |
Molecular Weight: | 108.18 |
Synonyms: | CYCLOOCTADIENE |
Density: | 0.841g/cm3 |
Boiling Point: | 150.1 °C at 760 mmHg |
Flash Point: | 24.4 °C |
PSA: | 0.00000 |
LogP: | 2.67280 |
This chemical is called Cyclooctadiene, and its systematic name is (1Z,3Z)-cycloocta-1,3-diene. It is a cyclic diene with the formula C8H12. The molecular weight is 108.18. Additionally, its CAS registry number is 29965-97-7.
Other characteristics of the Cyclooctadiene can be summarised as followings: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.52; (4)ACD/LogD (pH 7.4): 3.52; (5)ACD/BCF (pH 5.5): 278.69; (6)ACD/BCF (pH 7.4): 278.69; (7)ACD/KOC (pH 5.5): 1958.06; (8)ACD/KOC (pH 7.4): 1958.06; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.473; (13)Molar Refractivity: 36.1 cm3; (14)Molar Volume: 128.5 cm3; (15)Polarizability: 14.31×10-24cm3; (16)Surface Tension: 30.9 dyne/cm; (17)Density: 0.841 g/cm3; (18)Flash Point: 24.4 °C; (19)Enthalpy of Vaporization: 37.1 kJ/mol; (20)Boiling Point: 150.1 °C at 760 mmHg; (21)Vapour Pressure: 4.98 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemcial is liquid, and it may irritate skin and eyes. It's highly flammable and may react vigorously with strong oxidizing agents. Moreover, it may react exothermically with reducing agents to release hydrogen gas. Fore it may cause toxic effects if inhaled or absorbed through skin. Don's breathe vapor and keep it away from the sources of ignition.
You can still convert the following datas into molecular structure:
1.SMILES: C\1=C\C=C/CCCC/1
2.InChI: InChI=1/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2/b3-1-,4-2-
3.InChIKey: RRKODOZNUZCUBN-CCAGOZQPBQ