Basic information
- Name:
1-Adamantyl acrylate
- CAS No.:
121601-93-2
- Molecular Structure:
- Formula:
- C13H18O2
- Molecular Weight:
- 206.28
- Synonyms:
- 2-Propenoicacid, tricyclo[3.3.1.13,7]dec-1-yl ester;Adamantan-1-yl acrylate;
- Density:
- 1.09 g/cm3
- Boiling Point:
- 272.133 °C at 760 mmHg
- Flash Point:
- 108.495 °C
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Specification
The 1-Adamantyl acrylate, with the CAS registry number 121601-93-2, is also known as 2-Propenoicacid, tricyclo[3.3.1.13,7]dec-1-yl ester. This chemical's molecular formula is C13H18O2 and molecular weight is 206.28. What's more, its systematic name is Adamantan-1-yl acrylate.
Physical properties of 1-Adamantyl acrylate are: (1)ACD/LogP: 3.702; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.70; (4)ACD/LogD (pH 7.4): 3.70; (5)ACD/BCF (pH 5.5): 383.31; (6)ACD/BCF (pH 7.4): 383.31; (7)ACD/KOC (pH 5.5): 2459.87; (8)ACD/KOC (pH 7.4): 2459.87; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 57.678 cm3; (15)Molar Volume: 187.805 cm3; (16)Polarizability: 22.865×10-24cm3; (17)Surface Tension: 38.25 dyne/cm; (18)Density: 1.098 g/cm3; (19)Flash Point: 108.495 °C; (20)Enthalpy of Vaporization: 51.04 kJ/mol; (21)Boiling Point: 272.133 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC13CC2CC(CC(C1)C2)C3)\C=C
(2)Std. InChI: InChI=1S/C13H18O2/c1-2-12(14)15-13-6-9-3-10(7-13)5-11(4-9)8-13/h2,9-11H,1,3-8H2
(3)Std. InChIKey: PHPRWKJDGHSJMI-UHFFFAOYSA-N
