1,3-Adamantanediol diacrylate supplier

Name
1,3-Adamantanediol diacrylate
EINECS
CAS No. 81665-82-9
Density 1.17 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₀O₄
Boiling Point 345 °C at 760 mmHg
Molecular Weight 276.33
Flash Point 164.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Adamantanedioldiacrylate;1,3-Adamantanediol diacrylate;Tricyclo[3.3.1.13,7]decane-1,3-diyl bisacrylate;
PSA 52.60000
LogP 2.53620

1,3-Adamantanediol diacrylate Specification

The systematic name of 1,3-Adamantanediol diacrylate is 2-propenoic acid, tricyclo[3.3.1.13,7]decane-1,3-diyl ester. With the CAS registry number 81665-82-9, it is also named as Tricyclo[3.3.1.13,7]decane-1,3-diyl bisacrylate. The product's category is Adamantane Series. In addition, its molecular formula is C₁₆H₂₀O₄ and molecular weight is 276.33.

The other characteristics of 1,3-Adamantanediol diacrylate can be summarized as: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 237.51; (6)ACD/BCF (pH 7.4): 237.51; (7)ACD/KOC (pH 5.5): 1746.3; (8)ACD/KOC (pH 7.4): 1746.3; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 73.22 cm³; (15)Molar Volume: 234.9 cm³; (16)Polarizability: 29.02×10^-24cm³; (17)Surface Tension: 42.5 dyne/cm; (18)Density: 1.17 g/cm³; (19)Flash Point: 164.8 °C; (20)Enthalpy of Vaporization: 58.9 kJ/mol; (21)Boiling Point: 345 °C at 760 mmHg; (22)Vapour Pressure: 6.34E-05 mmHg at 25 °C

People can use the following data to convert to the molecule structure.
(1)SMILES: C=CC(=O)OC12CC3CC(C1)CC(C3)(C2)OC(=O)C=C
(2)InChI: InChI=1/C16H20O4/c1-3-13(17)19-15-6-11-5-12(7-15)9-16(8-11,10-15)20-14(18)4-2/h3-4,11-12H,1-2,5-10H2
(3)InChIKey: YGGARCQQBAOLGB-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C16H20O4/c1-3-13(17)19-15-6-11-5-12(7-15)9-16(8-11,10-15)20-14(18)4-2/h3-4,11-12H,1-2,5-10H2
(5)Std. InChIKey: YGGARCQQBAOLGB-UHFFFAOYSA-N

Product Name

1,3-Adamantanediol diacrylate

1,3-Adamantanediol diacrylate Specification

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