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| CAS No.: | 249562-06-9 |
|---|---|
| Name: | 2-Methyl-2-adamantyl acrylate |
| Article Data: | 6 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C14H20O2 |
| Molecular Weight: | 220.312 |
| Synonyms: | 2-Methyl-2-adamantylacrylate;2-Propenoic acid, 2-methyltricyclo(3.3.1.13,7)dec-2-yl ester;2-Methyladamantan-2-yl acrylate; |
| EINECS: | N/A |
| Density: | 1.076 g/cm3 |
| Melting Point: | N/A |
| Boiling Point: | 284.426 °C at 760 mmHg |
| Flash Point: | 114.556 °C |
| Solubility: | N/A |
| Appearance: | N/A |
| Hazard Symbols: | N/A |
| Risk Codes: | N/A |
| Safety: | |
| Transport Information: | N/A |
| PSA: | 26.30000 |
| LogP: | 2.93040 |
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The 2-Methyl-2-adamantyl acrylate, with the CAS registry number 249562-06-9, is also known as 2-Propenoic acid, 2-methyltricyclo(3.3.1.13,7)dec-2-yl ester. It belongs to the product category of Adamantane Derivative. This chemical's molecular formula is C14H20O2 and molecular weight is 220.31. What's more, its systematic name is 2-Methyladamantan-2-yl acrylate. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
Physical properties of 2-Methyl-2-adamantyl acrylate are: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.23; (4)ACD/LogD (pH 7.4): 4.23; (5)ACD/BCF (pH 5.5): 965.73; (6)ACD/BCF (pH 7.4): 965.73; (7)ACD/KOC (pH 5.5): 4766.04; (8)ACD/KOC (pH 7.4): 4766.04; (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: 1.52; (14)Molar Refractivity: 62.285 cm3; (15)Molar Volume: 204.764 cm3; (16)Polarizability: 24.692×10-24cm3; (17)Surface Tension: 37.02 dyne/cm; (18)Density: 1.076 g/cm3; (19)Flash Point: 114.556 °C; (20)Enthalpy of Vaporization: 52.341 kJ/mol; (21)Boiling Point: 284.426 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C .
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC3(C1CC2CC3CC(C1)C2)C)\C=C
(2)Std. InChI: InChI=1S/C14H20O2/c1-3-13(15)16-14(2)11-5-9-4-10(7-11)8-12(14)6-9/h3,9-12H,1,4-8H2,2H3
(3)Std. InChIKey: YRPLSAWATHBYFB-UHFFFAOYSA-N
