-
Name
NISTC19740342
- EINECS
- CAS No. 19740-34-2
- Article Data12
- CAS DataBase
- Density 0.923g/cm3
- Solubility
- Melting Point
- Formula C12H20
- Boiling Point 208.5 °C at 760 mmHg
- Molecular Weight 164.291
- Flash Point 66.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2,2-Dimethyltricyclo(3.3.1.1(3,7))decane;
- PSA 0.00000
- LogP 3.46870
Tricyclo[3.3.1.13,7]decane,2,2-dimethyl- Specification
The Tricyclo[3.3.1.13,7]decane,2,2-dimethyl-, with the CAS registry number of 19740-34-2, is also known as 2,2-Dimethyltricyclo(3.3.1.1(3,7))decane. Its molecular formula is C12H20 and molecular weight is 164.287200. What's more, its IUPAC name is 2,2-Dimethyladamantane.
Physical properties about the Tricyclo[3.3.1.13,7]decane,2,2-dimethyl- are: (1)ACD/LogP: 5.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.25; (4)ACD/LogD (pH 7.4): 5.25; (5)ACD/BCF (pH 5.5): 5804.05; (6)ACD/BCF (pH 7.4): 5804.05; (7)ACD/KOC (pH 5.5): 17205.65; (8)ACD/KOC (pH 7.4): 17205.65; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 51.54 cm3; (15)Molar Volume: 177.8 cm3; (16)Surface Tension: 31.3 dyne/cm; (17)Density: 0.923 g/cm3; (18)Flash Point: 66.9 °C; (19)Enthalpy of Vaporization: 42.66 kJ/mol; (20)Boiling Point: 208.5 °C at 760 mmHg; (21)Vapour Pressure: 0.308 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C1C3CC2CC(CC1C2(C)C)C3
(2) InChI: InChI=1/C12H20/c1-12(2)10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,3-7H2,1-2H3
(3) InChIKey: KOLCSQBNCFAWAM-UHFFFAOYAJ
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View