2-Adamantyl acrylate supplier | CasNO.128756-71-8

Name
2-ADAMANTYL ACRYLATE
EINECS
CAS No. 128756-71-8
Article Data5
CAS DataBase
Density 1.09g/cm³
Solubility
Melting Point
Formula C₁₃H₁₈O₂
Boiling Point 279.3 °C at 760 mmHg
Molecular Weight 206.285
Flash Point 112 °C
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Molecular Structure
Hazard Symbols
Synonyms 2-ADAMANTYL ACRYLATE;2-ADAMANTYL ACRYLATE [128756-71-8] C13H18O2 FW206.28;2-Propenoic acid tricyclo[3.3.1.13,7]dec-2-yl ester
PSA 26.30000
LogP 2.54030

2-Adamantyl acrylate Specification

The 2-Propenoicacid, tricyclo[3.3.1.13,7]dec-2-yl ester, with CAS registry number 128756-71-8, belongs to the following product category: Adamantane Derivative. It has the systematic name of tricyclo[3.3.1.1~3,7~]dec-2-yl prop-2-enoate. And the chemical formula of this chemical is C₁₃H₁₈O₂.

Physical properties of 2-Propenoicacid, tricyclo[3.3.1.13,7]dec-2-yl ester: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.69; (4)ACD/LogD (pH 7.4): 3.69; (5)ACD/BCF (pH 5.5): 374.81; (6)ACD/BCF (pH 7.4): 374.81; (7)ACD/KOC (pH 5.5): 2420.69; (8)ACD/KOC (pH 7.4): 2420.69; (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: 1.523; (14)Molar Refractivity: 57.62 cm³; (15)Molar Volume: 188.6 cm³; (16)Polarizability: 22.84×10^-24cm³; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 112 °C; (20)Enthalpy of Vaporization: 51.79 kJ/mol; (21)Boiling Point: 279.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00406 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC3C1CC2CC3CC(C1)C2)\C=C
(2)InChI: InChI=1/C13H18O2/c1-2-12(14)15-13-10-4-8-3-9(6-10)7-11(13)5-8/h2,8-11,13H,1,3-7H2
(3)InChIKey: NCJGJDNWSHATQH-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C13H18O2/c1-2-12(14)15-13-10-4-8-3-9(6-10)7-11(13)5-8/h2,8-11,13H,1,3-7H2
(5)Std. InChIKey: NCJGJDNWSHATQH-UHFFFAOYSA-N

Product Name

2-ADAMANTYL ACRYLATE

2-Adamantyl acrylate Specification

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