2,6-Adamantanedione supplier | CasNO.39751-07-0

Name
adamantane-2,6-dione
EINECS
CAS No. 39751-07-0
Article Data11
CAS DataBase
Density 1.239 g/cm³
Solubility
Melting Point 323-323.4 °C
Formula C₁₀H₁₂O₂
Boiling Point 306.7 °C at 760 mmHg
Molecular Weight 164.201080
Flash Point 114.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,6-Adamantandione;
PSA 34.14000
LogP 1.19060

2,6-Adamantanedione Specification

The Tricyclo[3.3.1.1^3,7]decane-2,6-dione, with the CAS registry number of 39751-07-0, is also known as 2,6-Adamantandione. Its molecular formula is C₁₀H₁₂O₂ and molecular weight is 164.201080. What's more, its IUPAC name is Adamantane-2,6-dione.

Physical properties about the Tricyclo[3.3.1.1^3,7]decane-2,6-dione are: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.38; (8)ACD/KOC (pH 7.4): 29.38; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 42.48 cm³; (15)Molar Volume: 132.4 cm³; (16)Surface Tension: 45.6 dyne/cm; (17)Density: 1.239 g/cm³; (18)Flash Point: 114.7 °C; (19)Enthalpy of Vaporization: 54.73 kJ/mol; (20)Boiling Point: 306.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000758 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2C1CC3C(=O)C(C1)CC2C3
(2) InChI: InChI=1/C10H12O2/c11-9-5-1-6-3-8(9)4-7(2-5)10(6)12/h5-8H,1-4H2
(3) InChIKey: UBIAKEDDKXHXTB-UHFFFAOYAX

Product Name

adamantane-2,6-dione

2,6-Adamantanedione Specification

Related Products

Hot Products