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CAS No.: | 5685-47-2 |
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Name: | DICYCLOPROPYLMETHANE |
Molecular Structure: | |
Formula: | C7H12 |
Molecular Weight: | 96.1723 |
Synonyms: | Methane,dicyclopropyl- (6CI,7CI,8CI); |
EINECS: | 227-153-8 |
Density: | 0.96 g/cm3 |
Melting Point: | -103°C |
Boiling Point: | 106.6 °C at 760 mmHg |
PSA: | 0.00000 |
LogP: | 2.19650 |
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The Cyclopropane,1,1'-methylenebis-, with the CAS registry number 5685-47-2, is also known as Methane,dicyclopropyl- (6CI,7CI,8CI). Its EINECS registry number is 227-153-8. This chemical's molecular formula is C7H12 and molecular weight is 96.1702. What's more, its IUPAC name is Cyclopropylmethylcyclopropane.
Physical properties about Cyclopropane,1,1'-methylenebis- are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 129.74; (6)ACD/BCF (pH 7.4): 129.74; (7)ACD/KOC (pH 5.5): 1132.81; (8)ACD/KOC (pH 7.4): 1132.81; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 30.36 cm3; (15)Molar Volume: 100.1 cm3; (16)Polarizability: 12.03×10-24 cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 0.96 g/cm3; (19)Enthalpy of Vaporization: 33.12 kJ/mol; (20)Boiling Point: 106.6 °C at 760 mmHg; (21)Vapour Pressure: 32.7 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C1CC1CC2CC2
(2) InChI: InChI=1/C7H12/c1-2-6(1)5-7-3-4-7/h6-7H,1-5H2
(3) InChIKey: LLVRMRMMZQPDAK-UHFFFAOYAN