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13675-20-2

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Basic Information
CAS No.: 13675-20-2
Name: Oxalic acid bis(2-ethylhexyl) ester
Molecular Structure:
Molecular Structure of 13675-20-2 (Oxalic acid bis(2-ethylhexyl) ester)
Formula: C18H34O4
Molecular Weight: 314.46
Synonyms: Oxalic acid, bis(2-ethylhexyl) ester;
Density: 0.943 g/cm3
Boiling Point: 375.897 °C at 760 mmHg
Flash Point: 158.131 °C
PSA: 52.60000
LogP: 4.50560
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Specification

The Ethanedioic acid, bis(2-ethylhexyl) ester, with the CAS registry number 13675-20-2, is also known as Oxalic acid, bis(2-ethylhexyl) ester. This chemical's molecular formula is C18H34O4 and molecular weight is 314.46. What's more, its systematic name is called Bis(2-ethylhexyl) oxalate.

Physical properties about Ethanedioic acid, bis(2-ethylhexyl) ester are: (1)ACD/LogP: 6.507; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.51; (4)ACD/LogD (pH 7.4): 6.51; (5)ACD/BCF (pH 5.5): 51880.99; (6)ACD/BCF (pH 7.4): 51880.99; (7)ACD/KOC (pH 5.5): 82524.89; (8)ACD/KOC (pH 7.4): 82524.89; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 88.907 cm3; (15)Molar Volume: 333.374 cm3; (16) Polarizability: 35.246×10-24cm3; (17)Surface Tension: 31.936 dyne/cm; (18)Density: 0.943 g/cm3; (19)Flash Point: 158.131 °C; (20)Enthalpy of Vaporization: 62.347 kJ/mol; (21)Boiling Point: 375.897 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC(CC)CCCC)C(=O)OCC(CCCC)CC
(2) InChI: InChI=1S/C18H34O4/c1-5-9-11-15(7-3)13-21-17(19)18(20)22-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3
(3) InChIKey: UNJCTNQOWIWHFN-UHFFFAOYSA-N