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CAS No.: | 6624-69-7 |
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Name: | bis(2-methylbutyl) pentanedioate |
Molecular Structure: | |
Formula: | C15H28O4 |
Molecular Weight: | 272.3804 |
Synonyms: | Pentanedioicacid, bis(2-methylbutyl) ester (9CI);Di(2-methylbutyl) glutarate;NSC 53821; |
Density: | 0.959 g/cm3 |
Boiling Point: | 294.8 °C at 760 mmHg |
Flash Point: | 128.8 °C |
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The Pentanedioicacid, 1,5-bis(2-methylbutyl) ester, with the CAS registry number 6624-69-7, has the molecular formula C15H28O4. Besides, its molecular weight is 272.3804. Its systematic name is called bis(2-methylbutyl) pentanedioate.
Physical properties of Pentanedioicacid, 1,5-bis(2-methylbutyl) ester: (1)ACD/LogP: 4.50; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 12; (4)Index of Refraction: 1.441; (5)Molar Refractivity: 75 cm3; (6)Molar Volume: 283.8 cm3; (7)Surface Tension: 31.6 dyne/cm; (8)Density: 0.959 g/cm3; (9)Flash Point: 128.8 °C; (10)Enthalpy of Vaporization: 53.45 kJ/mol; (11)Boiling Point: 294.8 °C at 760 mmHg; (12)Vapour Pressure: 0.00159 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(C)CC)CCCC(=O)OCC(CC)C
(2)InChI: InChI=1/C15H28O4/c1-5-12(3)10-18-14(16)8-7-9-15(17)19-11-13(4)6-2/h12-13H,5-11H2,1-4H3
(3)InChIKey: KCMGCXMWIATDCV-UHFFFAOYAX