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Pentanedioicacid, 1,5-bis(2-methylbutyl) ester

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Name

Pentanedioicacid, 1,5-bis(2-methylbutyl) ester

EINECS N/A
CAS No. 6624-69-7 Density 0.959 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C15H28O4 Boiling Point 294.8 °C at 760 mmHg
Molecular Weight 272.3804 Flash Point 128.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6624-69-7 (bis(2-methylbutyl) pentanedioate) Hazard Symbols N/A
Synonyms

Pentanedioicacid, bis(2-methylbutyl) ester (9CI);Di(2-methylbutyl) glutarate;NSC 53821;

 

Pentanedioicacid, 1,5-bis(2-methylbutyl) ester Specification

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

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