-
Name
1,3-Adamantanediol monomethacrylate
- EINECS
- CAS No. 216581-76-9
- Article Data5
- CAS DataBase
- Density 1.201 g/cm3
- Solubility
- Melting Point 70.0 to 74.0 °C
- Formula C13H18O3
- Boiling Point 314.249 °C at 760 mmHg
- Molecular Weight 222.284
- Flash Point 128.115 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,3-Adamantanediolmonoacrylate;1-Acryloyloxy-3-adamantanol;1-Acryloyloxy-3-hydroxyadamantane;3-Hydroxy-1-adamantyl acrylate;Adamantate HA;3-Hydroxyadamantan-1-yl acrylate;
- PSA 46.53000
- LogP 1.79930
1,3-Adamantanediol monoacrylate Specification
The 1,3-Adamantanediol monoacrylate, with the CAS registry number 216581-76-9, is also known as 1-Acryloyloxy-3-hydroxyadamantane. This chemical's molecular formula is C13H18O3 and molecular weight is 222.28. What's more, its systematic name is 3-Hydroxyadamantan-1-yl acrylate. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
Physical properties of 1,3-Adamantanediol monoacrylate are: (1)ACD/LogP: 1.775; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.14; (6)ACD/BCF (pH 7.4): 13.14; (7)ACD/KOC (pH 5.5): 219.95; (8)ACD/KOC (pH 7.4): 219.95; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 59.244 cm3; (15)Molar Volume: 185.1 cm3; (16)Polarizability: 23.486×10-24cm3; (17)Surface Tension: 46.1269989013672 dyne/cm; (18)Density: 1.201 g/cm3; (19)Flash Point: 128.115 °C; (20)Enthalpy of Vaporization: 64.393 kJ/mol; (21)Boiling Point: 314.249 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C=CC(=O)OC13CC2CC(O)(CC(C1)C2)C3
(2)Std. InChI: InChI=1S/C13H18O3/c1-2-11(14)16-13-6-9-3-10(7-13)5-12(15,4-9)8-13/h2,9-10,15H,1,3-8H2
(3)Std. InChIKey: DKDKCSYKDZNMMA-UHFFFAOYSA-N
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