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sec-Butylidene hydroperoxide

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Name

sec-Butylidene hydroperoxide

EINECS 220-091-2
CAS No. 2625-67-4 Density 1.193 g/cm3
PSA 58.92000 LogP 1.09180
Solubility N/A Melting Point N/A
Formula C4H10O4 Boiling Point 261.5 °C at 760 mmHg
Molecular Weight 122.121 Flash Point 111.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2625-67-4 (sec-butylidene hydroperoxide) Hazard Symbols N/A
Synonyms

Hydroperoxide,(1-methylpropylidene)bis- (9CI);sec-Butylidene hydroperoxide (6CI,7CI,8CI);2,2-Dihydroperoxybutane;

 

sec-Butylidene hydroperoxide Specification

The CAS registry number of Hydroperoxide,1,1'-(1-methylpropylidene)bis- is 2625-67-4. Its EINECS registry number is 220-091-2. The systematic name is butane-2,2-diyl dihydroperoxide. In addition, the molecular formula is C4H10O4 and the molecular weight is 122.12. What's more, it should be stored in a cool and dry place.

Physical properties about Hydroperoxide,1,1'-(1-methylpropylidene)bis- are: (1)ACD/LogP: 1.46 ; (2)ACD/LogD (pH 5.5): 1.46; (3)ACD/LogD (pH 7.4): 1.46; (4)ACD/BCF (pH 5.5): 7.63; (5)ACD/BCF (pH 7.4): 7.63; (6)ACD/KOC (pH 5.5): 149.03; (7)ACD/KOC (pH 7.4): 149.02; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 36.92 Å2; (12)Index of Refraction: 1.442; (13)Molar Refractivity: 27.1 cm3; (14)Molar Volume: 102.3 cm3; (15)Polarizability: 10.74 ×10-24cm3; (16)Surface Tension: 41.1 dyne/cm; (17)Density: 1.193 g/cm3; (18)Flash Point: 111.9 °C; (19)Enthalpy of Vaporization: 57.98 kJ/mol; (20)Boiling Point: 261.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00165 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OOC(OO)(C)CC
(2)InChI: InChI=1/C4H10O4/c1-3-4(2,7-5)8-6/h5-6H,3H2,1-2H3
(3)InChIKey: GIHSGBFMYFAEDX-UHFFFAOYAJ

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