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CAS No.: | 7249-15-2 |
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Name: | (2-nonyl-1,3-dioxolan-4-yl)methyl acetate |
Molecular Structure: | |
Formula: | C15H28O4 |
Molecular Weight: | 272.385 |
Synonyms: | (2-nonyl-1,3-dioxolan-4-yl)methyl acetate |
Density: | 0.967 g/cm3 |
Boiling Point: | 344.9 °C at 760 mmHg |
Flash Point: | 146.8 °C |
PSA: | 44.76000 |
LogP: | 3.43170 |
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The CAS registry number of 1,3-Dioxolane-4-methanol,2-nonyl-, 4-acetate is 7249-15-2. This chemical's molecular formula is C15H28O4 and molecular weight is 272.3804. What's more, its IUPAC name and systematic name are the same which is (2-Nonyl-1,3-dioxolan-4-yl)methyl acetate.
Physical properties about 1,3-Dioxolane-4-methanol,2-nonyl-, 4-acetate are: (1)ACD/LogP: 4.32; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.442; (8)Molar Refractivity: 74.53 cm3; (9)Molar Volume: 281.4 cm3; (10)Polarizability: 29.54×10-24 cm3; (11)Surface Tension: 34.1 dyne/cm; (12)Density: 0.967 g/cm3; (13)Flash Point: 146.8 °C; (14)Enthalpy of Vaporization: 58.89 kJ/mol; (15)Boiling Point: 344.9 °C at 760 mmHg; (16)Vapour Pressure: 6.4E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC1OC(OC1)CCCCCCCCC)C
(2) InChI: InChI=1/C15H28O4/c1-3-4-5-6-7-8-9-10-15-18-12-14(19-15)11-17-13(2)16/h14-15H,3-12H2,1-2H3
(3) InChIKey: DEBZHLHXSAVVNB-UHFFFAOYAU