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33791-58-1

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Basic Information
CAS No.: 33791-58-1
Name: DICYCLOPENTENYL ACRYLATE
Molecular Structure:
Molecular Structure of 33791-58-1 (DICYCLOPENTENYL ACRYLATE)
Formula: C13H16O2
Molecular Weight: 204.26
Synonyms: 3a,4,5,6,7,7a-Hexahydro-4,7-methanoindenyl acrylate;Acrylic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methanoindenyl ester;Dicyclopentadiene acrylate;
EINECS: 251-678-1
Density: 1.123 g/cm3
Melting Point: -40℃
Boiling Point: 278.519 °C at 760 mmHg
Flash Point: 111.652 °C
Solubility: Fully miscible in water.
PSA: 26.30000
LogP: 2.31630
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Specification

The Dicyclopentadienyl acrylate, with the CAS registry number 33791-58-1, is also known as Acrylic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methanoindenyl ester. It belongs to the product category of Monomer. Its EINECS number is 251-678-1. This chemical's molecular formula is C13H16O2 and molecular weight is 204.26. What's more, its systematic name is Tricyclo[5.2.1.02,6]dec-4-en-3-yl acrylate.

Physical properties of Dicyclopentadienyl acrylate are: (1)ACD/LogP: 3.465; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.47; (4)ACD/LogD (pH 7.4): 3.47; (5)ACD/BCF (pH 5.5): 253.19; (6)ACD/BCF (pH 7.4): 253.19; (7)ACD/KOC (pH 5.5): 1828.08; (8)ACD/KOC (pH 7.4): 1828.08; (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: 1.545; (14)Molar Refractivity: 57.535 cm3; (15)Molar Volume: 181.945 cm3; (16)Polarizability: 22.809×10-24cm3; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 1.123 g/cm3; (19)Flash Point: 111.652 °C; (20)Enthalpy of Vaporization: 51.715 kJ/mol; (21)Boiling Point: 278.519 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC2/C=C\C3C1CCC(C1)C23)\C=C
(2)Std. InChI: InChI=1S/C13H16O2/c1-2-12(14)15-11-6-5-10-8-3-4-9(7-8)13(10)11/h2,5-6,8-11,13H,1,3-4,7H2
(3)Std. InChIKey: ISRJTGUYHVPAOR-UHFFFAOYSA-N