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CAS No.: | 122066-43-7 |
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Name: | 1,3-Adamantanediol dimethacrylate |
Molecular Structure: | |
Formula: | C18H24O4 |
Molecular Weight: | 304.3808 |
Synonyms: | 2-Propenoicacid, 2-methyl-, tricyclo[3.3.1.13,7]decane-1,3-diyl ester (9CI);1,3-Adamantanedioldimethacrylate;3-(2-methylprop-2-enoyloxy)adamantanyl 2-methylprop-2-enoate; |
Density: | 1.139 g/cm3 |
Boiling Point: | 374.528 °C at 760 mmHg |
Flash Point: | 178.462 °C |
PSA: | 52.60000 |
LogP: | 3.31640 |
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The 2-Propenoic acid,2-methyl-, 1,1'-tricyclo[3.3.1.13,7]decane-1,3-diyl ester, is also called 1,3-Adamantanediol dimethacrylate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C18H24O4.
The characteristics of 2-Propenoic acid,2-methyl-, 1,1'-tricyclo[3.3.1.13,7]decane-1,3-diyl ester are as followings: (1)ACD/LogP: 4.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.53; (4)ACD/LogD (pH 7.4): 4.53; (5)ACD/BCF (pH 5.5): 1640.87; (6)ACD/BCF (pH 7.4): 1640.87; (7)ACD/KOC (pH 5.5): 6965.42; (8)ACD/KOC (pH 7.4): 6965.42; (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: 1.526; (14)Molar Refractivity: 82.03 cm3; (15)Molar Volume: 267.1 cm3; (16)Polarizability: 32.51×10-24cm3; (17)Surface Tension: 40.2 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 178.5 °C; (20)Enthalpy of Vaporization: 62.19 kJ/mol; (21)Boiling Point: 374.5 °C at 760 mmHg; (22)Vapour Pressure: 8.3E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC13CC2CC(OC(=O)\C(=C)C)(CC(C1)C2)C3)\C(=C)C
(2)InChI: InChI=1/C18H24O4/c1-11(2)15(19)21-17-6-13-5-14(7-17)9-18(8-13,10-17)22-16(20)12(3)4/h13-14H,1,3,5-10H2,2,4H3
(3)InChIKey: LWZDPKCUTBVCGX-UHFFFAOYAX