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2050-61-5

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Basic Information
CAS No.: 2050-61-5
Name: Bis(2-methylpropyl) oxalate
Molecular Structure:
Molecular Structure of 2050-61-5 (Bis(2-methylpropyl) oxalate)
Formula: C10H18O4
Molecular Weight: 202.251
Synonyms: Ethanedioicacid, bis(2-methylpropyl) ester (9CI);Oxalic acid, diisobutyl ester (6CI);Diisobutyl oxalate;NSC 67394;
Density: 1.004 g/cm3
Boiling Point: 229 °C at 760 mmHg
Flash Point: 96.1 °C
PSA: 52.60000
LogP: 1.38480
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Specification

The Bis(2-methylpropyl) oxalate, with the cas registry number 2050-61-5, has the systematic name of bis(2-methylpropyl) ethanedioate. And the molecular formula of the chemical is C10H18O4.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 52.6Å2; (7)Index of Refraction: 1.428; (8)Molar Refractivity: 51.84 cm3; (9)Molar Volume: 201.3 cm3; (10)Polarizability: 20.55×10-24cm3; (11)Surface Tension: 30.7 dyne/cm; (12)Density: 1.004 g/cm3; (13)Flash Point: 96.1 °C; (14)Enthalpy of Vaporization: 46.56 kJ/mol; (15)Boiling Point: 229 °C at 760 mmHg; (16)Vapour Pressure: 0.0712 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC(C)C)C(=O)OCC(C)C
(2)InChI: InChI=1/C10H18O4/c1-7(2)5-13-9(11)10(12)14-6-8(3)4/h7-8H,5-6H2,1-4H3
(3)InChIKey: GJRRTUSXQPXVES-UHFFFAOYAT