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CAS No.: | 3530-28-7 |
---|---|
Name: | dimyristoyl peroxide |
Molecular Structure: | |
Formula: | C28H54O4 |
Molecular Weight: | 454.734 |
Synonyms: | Myristoylperoxide (6CI,7CI,8CI);Dimyristoyl peroxide; |
EINECS: | 222-561-2 |
Density: | 0.913g/cm3 |
Melting Point: | 63-64 °C(Solv: methanol (67-56-1)) |
Boiling Point: | 517.7 °C at 760 mmHg |
Flash Point: | 213.2 °C |
PSA: | 52.60000 |
LogP: | 9.39000 |
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The Peroxide,bis(1-oxotetradecyl), with CAS registry number 3530-28-7, has the systematic name of ditridecylperoxyanhydride. Besides this, it is also called Myristoryl peroxide. And the chemical formula of this chemical is C28H54O4. What's more, its EINECS is 222-561-2.
Physical properties of Peroxide,bis(1-oxotetradecyl): (1)ACD/LogP: 12.72; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.72; (4)ACD/LogD (pH 7.4): 12.72; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 27; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 135.31 cm3; (15)Molar Volume: 497.6 cm3; (16)Polarizability: 53.64×10-24cm3; (17)Surface Tension: 33.3 dyne/cm; (18)Density: 0.913 g/cm3; (19)Flash Point: 213.2 °C; (20)Enthalpy of Vaporization: 79.01 kJ/mol; (21)Boiling Point: 517.7 °C at 760 mmHg; (22)Vapour Pressure: 7.99E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OOC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC
(2)InChI: InChI=1/C28H54O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)31-32-28(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
(3)InChIKey: SLFUZVJZPBHLAQ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C28H54O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)31-32-28(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
(5)Std. InChIKey: SLFUZVJZPBHLAQ-UHFFFAOYSA-N