-
Name
Δ2,2'-Biadamantane
- EINECS
- CAS No. 30541-56-1
- Article Data8
- CAS DataBase
- Density 1.11 g/cm3
- Solubility
- Melting Point 184-186 °C
- Formula C20H28
- Boiling Point 377.5 °C at 760 mmHg
- Molecular Weight 268.442
- Flash Point 165 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms [2,2']Biadamantanylidene;2-(2-adamantylidene)adamantane;
- PSA 0.00000
- LogP 5.19520
Tricyclo(3.3.1.13,7)decane, tricyclo(3.3.1.13,7)decylidene- Specification
The Tricyclo(3.3.1.13,7)decane, tricyclo(3.3.1.13,7)decylidene-, also known as [2,2']Biadamantanylidene, is an organic compound with the formula C20H28. With the CAS registry number 30541-56-1, its IUPAC name is 2-(2-adamantylidene)adamantane.
Physical properties of Tricyclo(3.3.1.13,7)decane, tricyclo(3.3.1.13,7)decylidene-: (1)ACD/LogP: 7.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.32; (4)ACD/LogD (pH 7.4): 7.32; (5)ACD/BCF (pH 5.5): 213657.25; (6)ACD/BCF (pH 7.4): 213657.25; (7)ACD/KOC (pH 5.5): 227293.7; (8)ACD/KOC (pH 7.4): 227293.7; (9)Index of Refraction: 1.594; (10)Molar Refractivity: 82.08 cm3; (11)Molar Volume: 241.8 cm3; (12)Surface Tension: 42.6 dyne/cm; (13)Density: 1.11 g/cm3; (14)Flash Point: 165 °C; (15)Enthalpy of Vaporization: 60.08 kJ/mol; (16)Boiling Point: 377.5 °C at 760 mmHg; (17)Vapour Pressure: 1.46E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C2CC3CC1CC(C2)C3=C4C5CC6CC(C5)CC4C6
(2)InChI: InChI=1S/C20H28/c1-11-3-15-5-12(1)6-16(4-11)19(15)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-18H,1-10H2
(3)InChIKey: KRDXURLKZNAXAQ-UHFFFAOYSA-N
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