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| CAS No.: | 28324-52-9 |
|---|---|
| Name: | pinanyl hydroperoxide |
| Molecular Structure: | |
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| Formula: | C10H18O2 |
| Molecular Weight: | 170.25 |
| Synonyms: | Pinanylhydroperoxide (7CI,8CI);Pinanyl hydroperoxide;2,6,6-Trimethylbicyclo[3.1.1]hept-1-yl hydroperoxide; |
| EINECS: | 248-969-0 |
| Density: | 1.04 g/cm3 |
| Boiling Point: | 242.7 °C at 760 mmHg |
| Flash Point: | 100.6 °C |
| PSA: | 29.46000 |
| LogP: | 2.69080 |
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Specification
The Hydroperoxide,2,6,6-trimethylbicyclo[3.1.1]heptyl, with the CAS registry number 28324-52-9, is also known as Pinanyl hydroperoxide. Its EINECS number is 248-969-0. This chemical's molecular formula is C10H18O2 and formula weight is 170.25. What's more, its systematic name is 2,6,6-trimethylbicyclo[3.1.1]hept-1-yl hydroperoxide.
Physical properties of Hydroperoxide,2,6,6-trimethylbicyclo[3.1.1]heptyl are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/BCF (pH 5.5): 310.46; (5)ACD/KOC (pH 5.5): 2115.35; (6)ACD/KOC (pH 7.4): 2115.34; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.46 Å2; (11)Index of Refraction: 1.496; (12)Molar Refractivity: 47.5 cm3; (13)Molar Volume: 162.3 cm3; (14)Surface Tension: 35.8 dyne/cm; (15)Density: 1.04 g/cm3; (16)Flash Point: 95.9 °C; (17)Enthalpy of Vaporization: 54.83 kJ/mol; (18)Boiling Point: 235 °C at 760 mmHg; (19)Vapour Pressure: 0.00939 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OOC12CC(CCC1C)C2(C)C
(2)InChI: InChI=1S/C10H18O2/c1-7-4-5-8-6-10(7,12-11)9(8,2)3/h7-8,11H,4-6H2,1-3H3
(3)InChIKey: QVRCRSYOVMLBKS-UHFFFAOYSA-N