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6140-74-5

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Basic Information
CAS No.: 6140-74-5
Name: pentadecyl methacrylate
Molecular Structure:
Molecular Structure of 6140-74-5 (pentadecyl methacrylate)
Formula: C19H36O2
Molecular Weight: 296.49
Synonyms: Methacrylicacid, pentadecyl ester (7CI,8CI);1-Pentadecanol, methacrylate (8CI);BlemmerPMA;Pentadecyl methacrylate;Pentadecyl 2-methylprop-2-enoate;Methacrylic acid, pentadecyl ester;
EINECS: 228-126-3
Density: 0.87 g/cm3
Boiling Point: 370.3 °C at 760 mmHg
Flash Point: 160.4 °C
PSA: 26.30000
LogP: 6.19690
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    2-Propenoic acid,2-methyl-, pentadecyl ester

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Specification

The 2-Propenoic acid,2-methyl-, pentadecyl ester, with the CAS registry number 6140-74-5, is also known as Pentadecyl methacrylate. Its EINECS number is 228-126-3. This chemical's molecular formula is C19H36O2 and molecular weight is 296.49. What's more, its systematic name is Pentadecyl 2-methylprop-2-enoate.

Physical properties of 2-Propenoic acid,2-methyl-, pentadecyl ester are: (1)ACD/LogP: 8.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.78; (4)ACD/LogD (pH 7.4): 8.78; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1431364.63; (8)ACD/KOC (pH 7.4): 1431364.63; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 91.41 cm3; (15)Molar Volume: 340.5 cm3; (16)Polarizability: 36.24×10-24 cm3; (17)Surface Tension: 30.1 dyne/cm; (18)Density: 0.87 g/cm3; (19)Flash Point: 160.4 °C; (20)Enthalpy of Vaporization: 61.72 kJ/mol; (21)Boiling Point: 370.3 °C at 760 mmHg; (22)Vapour Pressure: 1.12E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCOC(=O)C(=C)C
(2)InChI: InChI=1S/C19H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-19(20)18(2)3/h2,4-17H2,1,3H3
(3)InChIKey: YOTGRUGZMVCBLS-UHFFFAOYSA-N