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71195-64-7

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Basic Information
CAS No.: 71195-64-7
Name: Pentanedioic acid,1,5-bis(2-methylpropyl) ester
Molecular Structure:
Molecular Structure of 71195-64-7 (Pentanedioic acid,1,5-bis(2-methylpropyl) ester)
Formula: C13H24O4
Molecular Weight: 244.331
Synonyms: Pentanedioicacid, bis(2-methylpropyl) ester (9CI);Diisobutyl glutarate;Bis(2-methylpropyl) pentanedioate;Glutaric acid, diisobutyl ester;
EINECS: 275-257-7
Density: 0.974 g/cm3
Boiling Point: 267 °C at 760 mmHg
Flash Point: 116.3 °C
PSA: 52.60000
LogP: 2.55510
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Specification

The Pentanedioic acid,1,5-bis(2-methylpropyl) ester, with the CAS registry number 71195-64-7, is also known as Diisobutyl glutarate. This chemical's molecular formula is C13H24O4 and molecular weight is 244.33. What's more, its systematic name is Bis(2-methylpropyl) pentanedioate and its EINECS number is 275-257-7.

Physical properties of Pentanedioic acid,1,5-bis(2-methylpropyl) ester are: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 3.44; (5)ACD/BCF (pH 5.5): 242.35; (6)ACD/BCF (pH 7.4): 242.35; (7)ACD/KOC (pH 5.5): 1771.69; (8)ACD/KOC (pH 7.4): 1771.69; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 65.74 cm3; (15)Molar Volume: 250.8 cm3; (16)Polarizability: 26.06×10-24 cm3; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 0.974 g/cm3; (19)Flash Point: 116.3 °C; (20)Enthalpy of Vaporization: 50.5 kJ/mol; (21)Boiling Point: 267 °C at 760 mmHg; (22)Vapour Pressure: 0.00835 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)COC(=O)CCCC(=O)OCC(C)C
(2)InChI: InChI=1S/C13H24O4/c1-10(2)8-16-12(14)6-5-7-13(15)17-9-11(3)4/h10-11H,5-9H2,1-4H3
(3)InChIKey: UFWRCRCDRAUAAO-UHFFFAOYSA-N